N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide

C16H30N4O — CID 119140417

IUPACN,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
SMILESC/N=C(\NCC1CC1C)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C16H30N4O/c1-12-9-13(12)10-18-15(17-2)19-11-16(7-5-6-8-16)14(21)20(3)4/h12-13H,5-11H2,1-4H3,(H2,17,18,19)
InChIKeyYJQAJAXCTBOGRL-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.46
Rot. Bonds5

About N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide

N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide (PubChem CID 119140417) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
PubChem CID119140417
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
SMILESC/N=C(\NCC1CC1C)NCC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C16H30N4O/c1-12-9-13(12)10-18-15(17-2)19-11-16(7-5-6-8-16)14(21)20(3)4/h12-13H,5-11H2,1-4H3,(H2,17,18,19)
InChIKeyYJQAJAXCTBOGRL-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[[N-(2,2-dimethylpropyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 119140423
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,N-dimethyl-1-[[[N'-methyl-N-(oxan-2-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140421
N,N-dimethyl-1-[[(N'-methyl-N-prop-2-ynylcarbamimidoyl)amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570750
1-[[(N-butyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571750
tert-butyl 2-[[[N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111569624
N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111569999
1-[[(N-hexyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111569576
N,N-dimethyl-1-[[[N'-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide;hydroiodide
CID 111570792
1-[[[N-[2-[cyclohexyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571562
N,N-dimethyl-1-[[[N'-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571259

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide (CID 119140417) is N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide is C/N=C(\NCC1CC1C)NCC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
The InChIKey is YJQAJAXCTBOGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12-9-13(12)10-18-15(17-2)19-11-16(7-5-6-8-16)14(21)20(3)4/h12-13H,5-11H2,1-4H3,(H2,17,18,19).
What are the key properties of N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide?
N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[[N'-methyl-N-[(2-methylcyclopropyl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119140417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).