6-amino-2-methylhex-2-enamide

C7H14N2O — CID 54113800

IUPAC6-amino-2-methylhex-2-enamide
SMILESCC(=CCCCN)C(N)=O
InChIInChI=1S/C7H14N2O/c1-6(7(9)10)4-2-3-5-8/h4H,2-3,5,8H2,1H3,(H2,9,10)
InChIKeyNIXVAPHNPNMUIX-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.16
Rot. Bonds4

About 6-amino-2-methylhex-2-enamide

6-amino-2-methylhex-2-enamide (PubChem CID 54113800) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-amino-2-methylhex-2-enamide.

Molecular Properties

Compound Name6-amino-2-methylhex-2-enamide
PubChem CID54113800
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name6-amino-2-methylhex-2-enamide
SMILESCC(=CCCCN)C(N)=O
InChIInChI=1S/C7H14N2O/c1-6(7(9)10)4-2-3-5-8/h4H,2-3,5,8H2,1H3,(H2,9,10)
InChIKeyNIXVAPHNPNMUIX-UHFFFAOYSA-N
XLogP0.16
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.16
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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Related Compounds

2-methylhex-2-enamide;propan-1-amine
CID 174435970
2-methylhept-2-enamide;hydrate
CID 172812574
(E)-2-methylhexadec-2-enamide
CID 87240184
11-hydroxy-2-methylundec-2-enamide
CID 141296717
2-methylnonacos-2-enamide
CID 141002865
2-methylhex-2-enamide;hydrochloride
CID 141109029
8-amino-2-methyloct-2-enoic acid
CID 90963841
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833
(E)-2,18-dimethylnonadec-2-enamide
CID 144939555
(E)-2,11-dimethyldodec-2-enamide
CID 88624041
methyl 7-amino-2-methylhept-2-enoate
CID 86161223
2-methylpent-2-enamide
CID 66895957

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylhex-2-enamide?
The IUPAC name of 6-amino-2-methylhex-2-enamide (CID 54113800) is 6-amino-2-methylhex-2-enamide.
What is the SMILES notation for 6-amino-2-methylhex-2-enamide?
The canonical SMILES for 6-amino-2-methylhex-2-enamide is CC(=CCCCN)C(N)=O.
What is the InChIKey of 6-amino-2-methylhex-2-enamide?
The InChIKey is NIXVAPHNPNMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(7(9)10)4-2-3-5-8/h4H,2-3,5,8H2,1H3,(H2,9,10).
What are the key properties of 6-amino-2-methylhex-2-enamide?
6-amino-2-methylhex-2-enamide has a molecular weight of 142.20 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylhex-2-enamide is sourced from PubChem (CID 54113800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).