hexan-1-amine;prop-2-enamide

C9H20N2O — CID 158183600

IUPAChexan-1-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCCCCN
InChIInChI=1S/C6H15N.C3H5NO/c1-2-3-4-5-6-7;1-2-3(4)5/h2-7H2,1H3;2H,1H2,(H2,4,5)
InChIKeyFYWRVRJKRCSAGI-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.18
Rot. Bonds5

About hexan-1-amine;prop-2-enamide

hexan-1-amine;prop-2-enamide (PubChem CID 158183600) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is hexan-1-amine;prop-2-enamide.

Molecular Properties

Compound Namehexan-1-amine;prop-2-enamide
PubChem CID158183600
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Namehexan-1-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCCCCN
InChIInChI=1S/C6H15N.C3H5NO/c1-2-3-4-5-6-7;1-2-3(4)5/h2-7H2,1H3;2H,1H2,(H2,4,5)
InChIKeyFYWRVRJKRCSAGI-UHFFFAOYSA-N
XLogP1.18
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexan-1-amine;prop-2-enamide?
The IUPAC name of hexan-1-amine;prop-2-enamide (CID 158183600) is hexan-1-amine;prop-2-enamide.
What is the SMILES notation for hexan-1-amine;prop-2-enamide?
The canonical SMILES for hexan-1-amine;prop-2-enamide is C=CC(N)=O.CCCCCCN.
What is the InChIKey of hexan-1-amine;prop-2-enamide?
The InChIKey is FYWRVRJKRCSAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H5NO/c1-2-3-4-5-6-7;1-2-3(4)5/h2-7H2,1H3;2H,1H2,(H2,4,5).
What are the key properties of hexan-1-amine;prop-2-enamide?
hexan-1-amine;prop-2-enamide has a molecular weight of 172.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-amine;prop-2-enamide is sourced from PubChem (CID 158183600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).