(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine

C11H22N2 — CID 126672149

IUPAC(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine
SMILESCCC(/N=C/C=C\N)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-5-10(11(3,4)6-2)13-9-7-8-12/h7-10H,5-6,12H2,1-4H3/b8-7-,13-9+
InChIKeyYLFRKHNNMZLVIW-XTYDYKDCSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds5

About (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine

(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine (PubChem CID 126672149) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine
PubChem CID126672149
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine
SMILESCCC(/N=C/C=C\N)C(C)(C)CC
InChIInChI=1S/C11H22N2/c1-5-10(11(3,4)6-2)13-9-7-8-12/h7-10H,5-6,12H2,1-4H3/b8-7-,13-9+
InChIKeyYLFRKHNNMZLVIW-XTYDYKDCSA-N
XLogP2.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2,2-dimethylpentan-3-ylimino)prop-1-en-1-amine
CID 134314093
(Z)-3-pentan-2-yliminoprop-1-en-1-amine
CID 146659680
3-(2-Methylpentan-3-ylimino)prop-1-en-1-amine
CID 174034615
(2S,3R)-2,3-ditert-butyl-2,3-dihydro-1H-1,4-diazepine
CID 102123215
(Z)-3-(2-methylheptan-4-ylimino)prop-1-en-1-amine
CID 177155781
(Z)-3-(5-methylhexan-3-ylimino)prop-1-en-1-amine
CID 178004465

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine?
The IUPAC name of (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine (CID 126672149) is (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine is CCC(/N=C/C=C\N)C(C)(C)CC.
What is the InChIKey of (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine?
The InChIKey is YLFRKHNNMZLVIW-XTYDYKDCSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-10(11(3,4)6-2)13-9-7-8-12/h7-10H,5-6,12H2,1-4H3/b8-7-,13-9+.
What are the key properties of (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine?
(Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4,4-dimethylhexan-3-ylimino)prop-1-en-1-amine is sourced from PubChem (CID 126672149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).