2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide

C19H34IN5O — CID 75424657

IUPAC2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccc(C)nc1)NCC1CN(CC(C)C)CCO1.I
InChIInChI=1S/C19H33N5O.HI/c1-15(2)13-24-9-10-25-18(14-24)12-23-19(20-4)21-8-7-17-6-5-16(3)22-11-17;/h5-6,11,15,18H,7-10,12-14H2,1-4H3,(H2,20,21,23);1H
InChIKeyWARYDDKUBMEMKH-UHFFFAOYSA-N
MW475.42 g/mol
LogP2.07
Rot. Bonds7

About 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide

2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide (PubChem CID 75424657) has the molecular formula C19H34IN5O and a molecular weight of 475.42 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
PubChem CID75424657
Molecular FormulaC19H34IN5O
Molecular Weight475.42 g/mol
Exact Mass475.18
IUPAC Name2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1ccc(C)nc1)NCC1CN(CC(C)C)CCO1.I
InChIInChI=1S/C19H33N5O.HI/c1-15(2)13-24-9-10-25-18(14-24)12-23-19(20-4)21-8-7-17-6-5-16(3)22-11-17;/h5-6,11,15,18H,7-10,12-14H2,1-4H3,(H2,20,21,23);1H
InChIKeyWARYDDKUBMEMKH-UHFFFAOYSA-N
XLogP2.07
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 52.07
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

1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111196775
1-[(6-chloro-3-pyridinyl)methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111369656
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111355641
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111362478
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369485
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111369061
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111369148
N-[2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111369526
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111340231
2-methyl-1-(4-methylpentyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369605
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111369020
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111369580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide (CID 75424657) is 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide is C/N=C(\NCCc1ccc(C)nc1)NCC1CN(CC(C)C)CCO1.I.
What is the InChIKey of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
The InChIKey is WARYDDKUBMEMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.HI/c1-15(2)13-24-9-10-25-18(14-24)12-23-19(20-4)21-8-7-17-6-5-16(3)22-11-17;/h5-6,11,15,18H,7-10,12-14H2,1-4H3,(H2,20,21,23);1H.
What are the key properties of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide?
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 75424657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).