2-ethenyl-4-imino-N,N-dimethylpentan-1-amine

C9H18N2 — CID 145468058

IUPAC2-ethenyl-4-imino-N,N-dimethylpentan-1-amine
SMILES[H]/N=C(\C)CC(C=C)CN(C)C
InChIInChI=1S/C9H18N2/c1-5-9(6-8(2)10)7-11(3)4/h5,9-10H,1,6-7H2,2-4H3/b10-8+
InChIKeyATYWYFJMWBHLMM-CSKARUKUSA-N
MW154.26 g/mol
LogP1.78
Rot. Bonds5

About 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine

2-ethenyl-4-imino-N,N-dimethylpentan-1-amine (PubChem CID 145468058) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-4-imino-N,N-dimethylpentan-1-amine
PubChem CID145468058
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-ethenyl-4-imino-N,N-dimethylpentan-1-amine
SMILES[H]/N=C(\C)CC(C=C)CN(C)C
InChIInChI=1S/C9H18N2/c1-5-9(6-8(2)10)7-11(3)4/h5,9-10H,1,6-7H2,2-4H3/b10-8+
InChIKeyATYWYFJMWBHLMM-CSKARUKUSA-N
XLogP1.78
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine?
The IUPAC name of 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine (CID 145468058) is 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine?
The canonical SMILES for 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine is [H]/N=C(\C)CC(C=C)CN(C)C.
What is the InChIKey of 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine?
The InChIKey is ATYWYFJMWBHLMM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(6-8(2)10)7-11(3)4/h5,9-10H,1,6-7H2,2-4H3/b10-8+.
What are the key properties of 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine?
2-ethenyl-4-imino-N,N-dimethylpentan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-imino-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 145468058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).