N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine

C16H32N2 — CID 166730580

IUPACN-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine
SMILES[H]/N=C(C)/C(C)=C(/C)CNC(CC)CCC(C)CC
InChIInChI=1S/C16H32N2/c1-7-12(3)9-10-16(8-2)18-11-13(4)14(5)15(6)17/h12,16-18H,7-11H2,1-6H3/b14-13-,17-15+
InChIKeyMCZZAWXVDYTYAG-IWHORCFHSA-N
MW252.45 g/mol
LogP4.56
Rot. Bonds9

About N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine

N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine (PubChem CID 166730580) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine.

Molecular Properties

Compound NameN-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine
PubChem CID166730580
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine
SMILES[H]/N=C(C)/C(C)=C(/C)CNC(CC)CCC(C)CC
InChIInChI=1S/C16H32N2/c1-7-12(3)9-10-16(8-2)18-11-13(4)14(5)15(6)17/h12,16-18H,7-11H2,1-6H3/b14-13-,17-15+
InChIKeyMCZZAWXVDYTYAG-IWHORCFHSA-N
XLogP4.56
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine?
The IUPAC name of N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine (CID 166730580) is N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine.
What is the SMILES notation for N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine?
The canonical SMILES for N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine is [H]/N=C(C)/C(C)=C(/C)CNC(CC)CCC(C)CC.
What is the InChIKey of N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine?
The InChIKey is MCZZAWXVDYTYAG-IWHORCFHSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-12(3)9-10-16(8-2)18-11-13(4)14(5)15(6)17/h12,16-18H,7-11H2,1-6H3/b14-13-,17-15+.
What are the key properties of N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine?
N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine has a molecular weight of 252.45 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-imino-2,3-dimethylpent-2-enyl]-6-methyloctan-3-amine is sourced from PubChem (CID 166730580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).