N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

C14H28N4O — CID 111927132

IUPACN-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/N=C(\NCCCC(C)C)NCCNC(=O)C1CC1
InChIInChI=1S/C14H28N4O/c1-11(2)5-4-8-17-14(15-3)18-10-9-16-13(19)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyWYKNYNPZVKZHIB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.11
Rot. Bonds8

About N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111927132) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID111927132
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESC/N=C(\NCCCC(C)C)NCCNC(=O)C1CC1
InChIInChI=1S/C14H28N4O/c1-11(2)5-4-8-17-14(15-3)18-10-9-16-13(19)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyWYKNYNPZVKZHIB-UHFFFAOYSA-N
XLogP1.11
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
N-[2-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111627763
N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111406361
N-[2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111239506
tert-butyl N-[3-[[N-[2-(cyclopropanecarbonylamino)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111886359
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 110977680
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]cyclohexanecarboxamide
CID 111225319

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (CID 111927132) is N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is C/N=C(\NCCCC(C)C)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is WYKNYNPZVKZHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)5-4-8-17-14(15-3)18-10-9-16-13(19)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111927132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).