(Z)-5-imino-3,4-dimethylpent-3-en-1-amine

C7H14N2 — CID 171523235

IUPAC(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
SMILES[H]/N=C/C(C)=C(/C)CCN
InChIInChI=1S/C7H14N2/c1-6(3-4-8)7(2)5-9/h5,9H,3-4,8H2,1-2H3/b7-6-,9-5+
InChIKeySRYTWBORNXRCNU-QRLJIZSYSA-N
MW126.20 g/mol
LogP1.32
Rot. Bonds3

About (Z)-5-imino-3,4-dimethylpent-3-en-1-amine

(Z)-5-imino-3,4-dimethylpent-3-en-1-amine (PubChem CID 171523235) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-5-imino-3,4-dimethylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
PubChem CID171523235
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
SMILES[H]/N=C/C(C)=C(/C)CCN
InChIInChI=1S/C7H14N2/c1-6(3-4-8)7(2)5-9/h5,9H,3-4,8H2,1-2H3/b7-6-,9-5+
InChIKeySRYTWBORNXRCNU-QRLJIZSYSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.32
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 (Z)-5-imino-3,4-dimethylpent-3-en-1-amine?
The IUPAC name of (Z)-5-imino-3,4-dimethylpent-3-en-1-amine (CID 171523235) is (Z)-5-imino-3,4-dimethylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-imino-3,4-dimethylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-imino-3,4-dimethylpent-3-en-1-amine is [H]/N=C/C(C)=C(/C)CCN.
What is the InChIKey of (Z)-5-imino-3,4-dimethylpent-3-en-1-amine?
The InChIKey is SRYTWBORNXRCNU-QRLJIZSYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(3-4-8)7(2)5-9/h5,9H,3-4,8H2,1-2H3/b7-6-,9-5+.
What are the key properties of (Z)-5-imino-3,4-dimethylpent-3-en-1-amine?
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-3,4-dimethylpent-3-en-1-amine is sourced from PubChem (CID 171523235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).