(Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine

C9H16N2 — CID 170000624

IUPAC(Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine
SMILESC=C/N=C/C=C(\NC)C(C)C
InChIInChI=1S/C9H16N2/c1-5-11-7-6-9(10-4)8(2)3/h5-8,10H,1H2,2-4H3/b9-6-,11-7+
InChIKeyCEYPINHOWQMZGQ-STGKXFFCSA-N
MW152.24 g/mol
LogP1.96
Rot. Bonds4

About (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine

(Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine (PubChem CID 170000624) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine
PubChem CID170000624
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine
SMILESC=C/N=C/C=C(\NC)C(C)C
InChIInChI=1S/C9H16N2/c1-5-11-7-6-9(10-4)8(2)3/h5-8,10H,1H2,2-4H3/b9-6-,11-7+
InChIKeyCEYPINHOWQMZGQ-STGKXFFCSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine?
The IUPAC name of (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine (CID 170000624) is (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine.
What is the SMILES notation for (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine?
The canonical SMILES for (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine is C=C/N=C/C=C(\NC)C(C)C.
What is the InChIKey of (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine?
The InChIKey is CEYPINHOWQMZGQ-STGKXFFCSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-11-7-6-9(10-4)8(2)3/h5-8,10H,1H2,2-4H3/b9-6-,11-7+.
What are the key properties of (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine?
(Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine has a molecular weight of 152.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethenylimino-N,4-dimethylpent-2-en-3-amine is sourced from PubChem (CID 170000624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).