(Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine

C8H16N2 — CID 155709899

IUPAC(Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine
SMILESCCC(C)/C=N/C=C(/C)N
InChIInChI=1S/C8H16N2/c1-4-7(2)5-10-6-8(3)9/h5-7H,4,9H2,1-3H3/b8-6-,10-5+
InChIKeyGBNCMYPXTYGCOR-LTFLHPNNSA-N
MW140.23 g/mol
LogP1.92
Rot. Bonds3

About (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine

(Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine (PubChem CID 155709899) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine
PubChem CID155709899
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine
SMILESCCC(C)/C=N/C=C(/C)N
InChIInChI=1S/C8H16N2/c1-4-7(2)5-10-6-8(3)9/h5-7H,4,9H2,1-3H3/b8-6-,10-5+
InChIKeyGBNCMYPXTYGCOR-LTFLHPNNSA-N
XLogP1.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.92
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-(2-methylbutylideneamino)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine (CID 155709899) is (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine is CCC(C)/C=N/C=C(/C)N.
What is the InChIKey of (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine?
The InChIKey is GBNCMYPXTYGCOR-LTFLHPNNSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(2)5-10-6-8(3)9/h5-7H,4,9H2,1-3H3/b8-6-,10-5+.
What are the key properties of (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine?
(Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methylbutylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 155709899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).