N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide

C13H26N4O — CID 111030516

IUPACN-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCCCC/N=C(\N)NCCNC(=O)C1CC1
InChIInChI=1S/C13H26N4O/c1-2-3-4-5-8-16-13(14)17-10-9-15-12(18)11-6-7-11/h11H,2-10H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyBNFIIHGVIHOZOI-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.00
Rot. Bonds9

About N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 111030516) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID111030516
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCCCC/N=C(\N)NCCNC(=O)C1CC1
InChIInChI=1S/C13H26N4O/c1-2-3-4-5-8-16-13(14)17-10-9-15-12(18)11-6-7-11/h11H,2-10H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyBNFIIHGVIHOZOI-UHFFFAOYSA-N
XLogP1.00
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.00
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-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
1-[4-[(N'-octylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111060520
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
methyl 3-[(N'-octylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063886
1-ethyl-2-nonylguanidine
CID 111034740
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
2-hexyl-1-(2-methylsulfonylethyl)guanidine
CID 111063406
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
2-hexyl-1-(2-methylsulfanylethyl)guanidine
CID 111030352
1-(4-ethoxybutyl)-2-hexylguanidine
CID 111059587

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide (CID 111030516) is N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide is CCCCCC/N=C(\N)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is BNFIIHGVIHOZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-3-4-5-8-16-13(14)17-10-9-15-12(18)11-6-7-11/h11H,2-10H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 254.38 g/mol, XLogP of 1.00, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111030516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).