N-(6-aminohexan-3-yl)prop-2-enamide

C9H18N2O — CID 90258074

IUPACN-(6-aminohexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)CCCN
InChIInChI=1S/C9H18N2O/c1-3-8(6-5-7-10)11-9(12)4-2/h4,8H,2-3,5-7,10H2,1H3,(H,11,12)
InChIKeyCHIOLXNHXBVPFA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds6

About N-(6-aminohexan-3-yl)prop-2-enamide

N-(6-aminohexan-3-yl)prop-2-enamide (PubChem CID 90258074) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(6-aminohexan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-aminohexan-3-yl)prop-2-enamide
PubChem CID90258074
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(6-aminohexan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)CCCN
InChIInChI=1S/C9H18N2O/c1-3-8(6-5-7-10)11-9(12)4-2/h4,8H,2-3,5-7,10H2,1H3,(H,11,12)
InChIKeyCHIOLXNHXBVPFA-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexan-3-yl)prop-2-enamide?
The IUPAC name of N-(6-aminohexan-3-yl)prop-2-enamide (CID 90258074) is N-(6-aminohexan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(6-aminohexan-3-yl)prop-2-enamide?
The canonical SMILES for N-(6-aminohexan-3-yl)prop-2-enamide is C=CC(=O)NC(CC)CCCN.
What is the InChIKey of N-(6-aminohexan-3-yl)prop-2-enamide?
The InChIKey is CHIOLXNHXBVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-8(6-5-7-10)11-9(12)4-2/h4,8H,2-3,5-7,10H2,1H3,(H,11,12).
What are the key properties of N-(6-aminohexan-3-yl)prop-2-enamide?
N-(6-aminohexan-3-yl)prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexan-3-yl)prop-2-enamide is sourced from PubChem (CID 90258074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).