N-(1-aminohexyl)-2-methylprop-2-enamide

C10H20N2O — CID 87962456

IUPACN-(1-aminohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(N)CCCCC
InChIInChI=1S/C10H20N2O/c1-4-5-6-7-9(11)12-10(13)8(2)3/h9H,2,4-7,11H2,1,3H3,(H,12,13)
InChIKeyQSRPLCKKCOWODZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.54
Rot. Bonds6

About N-(1-aminohexyl)-2-methylprop-2-enamide

N-(1-aminohexyl)-2-methylprop-2-enamide (PubChem CID 87962456) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(1-aminohexyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-aminohexyl)-2-methylprop-2-enamide
PubChem CID87962456
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(1-aminohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(N)CCCCC
InChIInChI=1S/C10H20N2O/c1-4-5-6-7-9(11)12-10(13)8(2)3/h9H,2,4-7,11H2,1,3H3,(H,12,13)
InChIKeyQSRPLCKKCOWODZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-aminohexyl)-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-aminohexyl)-2-methylprop-2-enamide (CID 87962456) is N-(1-aminohexyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-aminohexyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-aminohexyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(N)CCCCC.
What is the InChIKey of N-(1-aminohexyl)-2-methylprop-2-enamide?
The InChIKey is QSRPLCKKCOWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-6-7-9(11)12-10(13)8(2)3/h9H,2,4-7,11H2,1,3H3,(H,12,13).
What are the key properties of N-(1-aminohexyl)-2-methylprop-2-enamide?
N-(1-aminohexyl)-2-methylprop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87962456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).