(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine

C7H14N2 — CID 167287780

IUPAC(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
SMILESCNC/C=C\N=C(C)C
InChIInChI=1S/C7H14N2/c1-7(2)9-6-4-5-8-3/h4,6,8H,5H2,1-3H3/b6-4-
InChIKeyQZLBRUAMSAQOIQ-XQRVVYSFSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds3

About (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine

(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine (PubChem CID 167287780) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
PubChem CID167287780
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
SMILESCNC/C=C\N=C(C)C
InChIInChI=1S/C7H14N2/c1-7(2)9-6-4-5-8-3/h4,6,8H,5H2,1-3H3/b6-4-
InChIKeyQZLBRUAMSAQOIQ-XQRVVYSFSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
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)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine (CID 167287780) is (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine is CNC/C=C\N=C(C)C.
What is the InChIKey of (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine?
The InChIKey is QZLBRUAMSAQOIQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)9-6-4-5-8-3/h4,6,8H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine?
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine is sourced from PubChem (CID 167287780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).