2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide

C16H27N5O — CID 25149429

IUPAC2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide
SMILESCC(C(=O)N/C(N)=N/CCCc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C16H27N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h10-13H,2-9H2,1H3,(H,18,20)(H3,17,19,21,22)
InChIKeyAFTLSANLJDCKNX-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.99
Rot. Bonds6

About 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide

2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide (PubChem CID 25149429) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide
PubChem CID25149429
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide
SMILESCC(C(=O)N/C(N)=N/CCCc1cnc[nH]1)C1CCCCC1
InChIInChI=1S/C16H27N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h10-13H,2-9H2,1H3,(H,18,20)(H3,17,19,21,22)
InChIKeyAFTLSANLJDCKNX-UHFFFAOYSA-N
XLogP1.99
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide?
The IUPAC name of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide (CID 25149429) is 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide.
What is the SMILES notation for 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide?
The canonical SMILES for 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide is CC(C(=O)N/C(N)=N/CCCc1cnc[nH]1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide?
The InChIKey is AFTLSANLJDCKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h10-13H,2-9H2,1H3,(H,18,20)(H3,17,19,21,22).
What are the key properties of 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide?
2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide has a molecular weight of 305.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]propanamide is sourced from PubChem (CID 25149429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).