N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

C22H42IN5O2 — CID 111571502

IUPACN,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCC1(C(=O)N(C)C)CCCC1)NCC1(N2CCOCC2)CCCCC1.I
InChIInChI=1S/C22H41N5O2.HI/c1-23-20(24-17-21(9-7-8-10-21)19(28)26(2)3)25-18-22(11-5-4-6-12-22)27-13-15-29-16-14-27;/h4-18H2,1-3H3,(H2,23,24,25);1H
InChIKeyAKIIJDVRPKVXHY-UHFFFAOYSA-N
MW535.52 g/mol
LogP2.45
Rot. Bonds6

About N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide

N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (PubChem CID 111571502) has the molecular formula C22H42IN5O2 and a molecular weight of 535.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
PubChem CID111571502
Molecular FormulaC22H42IN5O2
Molecular Weight535.52 g/mol
Exact Mass535.24
IUPAC NameN,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
SMILESC/N=C(\NCC1(C(=O)N(C)C)CCCC1)NCC1(N2CCOCC2)CCCCC1.I
InChIInChI=1S/C22H41N5O2.HI/c1-23-20(24-17-21(9-7-8-10-21)19(28)26(2)3)25-18-22(11-5-4-6-12-22)27-13-15-29-16-14-27;/h4-18H2,1-3H3,(H2,23,24,25);1H
InChIKeyAKIIJDVRPKVXHY-UHFFFAOYSA-N
XLogP2.45
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[[[N'-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571579
N,N-dimethyl-3-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111004204
N,N-dimethyl-1-[[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570390
1,1,2-trimethyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111123659
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
2-methyl-1-(2-methylsulfonylethyl)-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111003488
N,N-dimethyl-1-[[[N'-methyl-N-(oxan-4-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140447
N,N-dimethyl-1-[[[N'-methyl-N-[(1-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119161669
N-tert-butyl-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003765
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004006
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 111004352
1-[2-(diethylamino)propyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111003197

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide (CID 111571502) is N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide.
What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is C/N=C(\NCC1(C(=O)N(C)C)CCCC1)NCC1(N2CCOCC2)CCCCC1.I.
What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
The InChIKey is AKIIJDVRPKVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2.HI/c1-23-20(24-17-21(9-7-8-10-21)19(28)26(2)3)25-18-22(11-5-4-6-12-22)27-13-15-29-16-14-27;/h4-18H2,1-3H3,(H2,23,24,25);1H.
What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide?
N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide has a molecular weight of 535.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide is sourced from PubChem (CID 111571502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).