(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine

C8H14N2 — CID 170195275

IUPAC(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
SMILESC=C/C=N/C(=C\N)C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-10-8(6-9)7(2)3/h4-7H,1,9H2,2-3H3/b8-6-,10-5+
InChIKeyJSTCEXFNUQXQHH-LTFLHPNNSA-N
MW138.21 g/mol
LogP1.70
Rot. Bonds3

About (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine

(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine (PubChem CID 170195275) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
PubChem CID170195275
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
SMILESC=C/C=N/C(=C\N)C(C)C
InChIInChI=1S/C8H14N2/c1-4-5-10-8(6-9)7(2)3/h4-7H,1,9H2,2-3H3/b8-6-,10-5+
InChIKeyJSTCEXFNUQXQHH-LTFLHPNNSA-N
XLogP1.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.70
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)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine (CID 170195275) is (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine is C=C/C=N/C(=C\N)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine?
The InChIKey is JSTCEXFNUQXQHH-LTFLHPNNSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-5-10-8(6-9)7(2)3/h4-7H,1,9H2,2-3H3/b8-6-,10-5+.
What are the key properties of (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine?
(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine is sourced from PubChem (CID 170195275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).