2-methylhex-2-enamide;propan-1-amine

C10H22N2O — CID 174435970

IUPAC2-methylhex-2-enamide;propan-1-amine
SMILESCCCC=C(C)C(N)=O.CCCN
InChIInChI=1S/C7H13NO.C3H9N/c1-3-4-5-6(2)7(8)9;1-2-3-4/h5H,3-4H2,1-2H3,(H2,8,9);2-4H2,1H3
InChIKeyNSHOQYSPHNAZKE-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.57
Rot. Bonds4

About 2-methylhex-2-enamide;propan-1-amine

2-methylhex-2-enamide;propan-1-amine (PubChem CID 174435970) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methylhex-2-enamide;propan-1-amine.

Molecular Properties

Compound Name2-methylhex-2-enamide;propan-1-amine
PubChem CID174435970
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methylhex-2-enamide;propan-1-amine
SMILESCCCC=C(C)C(N)=O.CCCN
InChIInChI=1S/C7H13NO.C3H9N/c1-3-4-5-6(2)7(8)9;1-2-3-4/h5H,3-4H2,1-2H3,(H2,8,9);2-4H2,1H3
InChIKeyNSHOQYSPHNAZKE-UHFFFAOYSA-N
XLogP1.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.57
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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Related Compounds

2-methylhex-2-enamide;hydrochloride
CID 141109029
6-amino-2-methylhex-2-enamide
CID 54113800
2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide
CID 173350322
2-methylpent-2-enamide
CID 66895957
N,N-dimethyldodecan-1-amine;2-methylhex-2-enamide;hydrobromide
CID 173350298
carbamoyl 2-methylhex-2-eneperoxoate
CID 173307552
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
6-hydroxy-2-methylnon-2-enamide
CID 141320588
(Z)-2-aminohex-2-enamide
CID 55284106

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-2-enamide;propan-1-amine?
The IUPAC name of 2-methylhex-2-enamide;propan-1-amine (CID 174435970) is 2-methylhex-2-enamide;propan-1-amine.
What is the SMILES notation for 2-methylhex-2-enamide;propan-1-amine?
The canonical SMILES for 2-methylhex-2-enamide;propan-1-amine is CCCC=C(C)C(N)=O.CCCN.
What is the InChIKey of 2-methylhex-2-enamide;propan-1-amine?
The InChIKey is NSHOQYSPHNAZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H9N/c1-3-4-5-6(2)7(8)9;1-2-3-4/h5H,3-4H2,1-2H3,(H2,8,9);2-4H2,1H3.
What are the key properties of 2-methylhex-2-enamide;propan-1-amine?
2-methylhex-2-enamide;propan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-2-enamide;propan-1-amine is sourced from PubChem (CID 174435970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).