N-but-3-enyl-3-imino-2-methylbutan-1-amine

C9H18N2 — CID 144902747

IUPACN-but-3-enyl-3-imino-2-methylbutan-1-amine
SMILES[H]/N=C(\C)C(C)CNCCC=C
InChIInChI=1S/C9H18N2/c1-4-5-6-11-7-8(2)9(3)10/h4,8,10-11H,1,5-7H2,2-3H3/b10-9+
InChIKeyVVQMPHGQGOOHSG-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.83
Rot. Bonds6

About N-but-3-enyl-3-imino-2-methylbutan-1-amine

N-but-3-enyl-3-imino-2-methylbutan-1-amine (PubChem CID 144902747) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-but-3-enyl-3-imino-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-3-imino-2-methylbutan-1-amine
PubChem CID144902747
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-but-3-enyl-3-imino-2-methylbutan-1-amine
SMILES[H]/N=C(\C)C(C)CNCCC=C
InChIInChI=1S/C9H18N2/c1-4-5-6-11-7-8(2)9(3)10/h4,8,10-11H,1,5-7H2,2-3H3/b10-9+
InChIKeyVVQMPHGQGOOHSG-MDZDMXLPSA-N
XLogP1.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-but-3-enyl-3-imino-2-methylbutan-1-amine?
The IUPAC name of N-but-3-enyl-3-imino-2-methylbutan-1-amine (CID 144902747) is N-but-3-enyl-3-imino-2-methylbutan-1-amine.
What is the SMILES notation for N-but-3-enyl-3-imino-2-methylbutan-1-amine?
The canonical SMILES for N-but-3-enyl-3-imino-2-methylbutan-1-amine is [H]/N=C(\C)C(C)CNCCC=C.
What is the InChIKey of N-but-3-enyl-3-imino-2-methylbutan-1-amine?
The InChIKey is VVQMPHGQGOOHSG-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-11-7-8(2)9(3)10/h4,8,10-11H,1,5-7H2,2-3H3/b10-9+.
What are the key properties of N-but-3-enyl-3-imino-2-methylbutan-1-amine?
N-but-3-enyl-3-imino-2-methylbutan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-3-imino-2-methylbutan-1-amine is sourced from PubChem (CID 144902747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).