N-(6-iminohexyl)propanamide

C9H18N2O — CID 142430798

IUPACN-(6-iminohexyl)propanamide
SMILES[H]/N=C/CCCCCNC(=O)CC
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-8-6-4-3-5-7-10/h7,10H,2-6,8H2,1H3,(H,11,12)/b10-7+
InChIKeyRVHCCHRUCZKJTF-JXMROGBWSA-N
MW170.26 g/mol
LogP1.72
Rot. Bonds7

About N-(6-iminohexyl)propanamide

N-(6-iminohexyl)propanamide (PubChem CID 142430798) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(6-iminohexyl)propanamide.

Molecular Properties

Compound NameN-(6-iminohexyl)propanamide
PubChem CID142430798
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(6-iminohexyl)propanamide
SMILES[H]/N=C/CCCCCNC(=O)CC
InChIInChI=1S/C9H18N2O/c1-2-9(12)11-8-6-4-3-5-7-10/h7,10H,2-6,8H2,1H3,(H,11,12)/b10-7+
InChIKeyRVHCCHRUCZKJTF-JXMROGBWSA-N
XLogP1.72
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, N,N'-1,6-hexanediylbis-
CID 2847505
N-(6-aminohexyl)propanamide
CID 1913492
3-imino-N-[6-(3-iminobutanoylamino)hexyl]butanamide
CID 53943234
N-hexyl-3-iminobutanamide
CID 54137276
N-[5-(hexylamino)pentyl]propanamide
CID 58435580
N-(6-acetamidohexyl)propanamide
CID 58534772
N-(6-aminohexyl)butanamide
CID 85630617
N-(6-aminohexyl)butanamide;azane
CID 88435557
6-amino-2-imino-N-pentylhexanamide
CID 88499723
N-(5-iminopentyl)acetamide
CID 88941159
N-methyl-4-propyliminobutanamide
CID 90248825
N-(7-aminoheptyl)propanamide
CID 90266333

Frequently Asked Questions

What is the IUPAC name of N-(6-iminohexyl)propanamide?
The IUPAC name of N-(6-iminohexyl)propanamide (CID 142430798) is N-(6-iminohexyl)propanamide.
What is the SMILES notation for N-(6-iminohexyl)propanamide?
The canonical SMILES for N-(6-iminohexyl)propanamide is [H]/N=C/CCCCCNC(=O)CC.
What is the InChIKey of N-(6-iminohexyl)propanamide?
The InChIKey is RVHCCHRUCZKJTF-JXMROGBWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12)11-8-6-4-3-5-7-10/h7,10H,2-6,8H2,1H3,(H,11,12)/b10-7+.
What are the key properties of N-(6-iminohexyl)propanamide?
N-(6-iminohexyl)propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iminohexyl)propanamide is sourced from PubChem (CID 142430798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).