(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine

C14H26N2 — CID 123446785

IUPAC(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine
SMILESC=CC(C)/N=C(C)/C=C(/C)CC(C)(C)CN
InChIInChI=1S/C14H26N2/c1-7-12(3)16-13(4)8-11(2)9-14(5,6)10-15/h7-8,12H,1,9-10,15H2,2-6H3/b11-8-,16-13+
InChIKeyPWCALUBAYNSPIB-YEBGZJGCSA-N
MW222.38 g/mol
LogP3.34
Rot. Bonds6

About (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine

(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine (PubChem CID 123446785) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine
PubChem CID123446785
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine
SMILESC=CC(C)/N=C(C)/C=C(/C)CC(C)(C)CN
InChIInChI=1S/C14H26N2/c1-7-12(3)16-13(4)8-11(2)9-14(5,6)10-15/h7-8,12H,1,9-10,15H2,2-6H3/b11-8-,16-13+
InChIKeyPWCALUBAYNSPIB-YEBGZJGCSA-N
XLogP3.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-methylhept-5-enyl]iminopropan-1-amine
CID 130242798
(2Z)-2-ethylidene-3-ethyliminopentan-1-amine
CID 144144986
(3Z)-5-(6-methyl-2,3-dihydropyridin-4-yl)-2-methylidenehexa-3,5-dien-1-amine
CID 144306538
(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine
CID 145242480
(5-Imino-3,3-dimethylcyclopenten-1-yl)methanamine
CID 146184303
2,5-dimethyl-3-(2-methylpent-4-en-2-yl)-2H-pyrrole
CID 156182708
2-[(2R)-5-tert-butyl-2-methyl-2H-indol-3-yl]ethanamine
CID 124476689
2-[(2S)-5-tert-butyl-2-methyl-2H-indol-3-yl]ethanamine
CID 124476690
3-(2,2-dimethylpropyl)-5-methyl-2H-pyrrole
CID 167549798

Frequently Asked Questions

What is the IUPAC name of (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine?
The IUPAC name of (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine (CID 123446785) is (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine.
What is the SMILES notation for (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine?
The canonical SMILES for (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine is C=CC(C)/N=C(C)/C=C(/C)CC(C)(C)CN.
What is the InChIKey of (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine?
The InChIKey is PWCALUBAYNSPIB-YEBGZJGCSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-12(3)16-13(4)8-11(2)9-14(5,6)10-15/h7-8,12H,1,9-10,15H2,2-6H3/b11-8-,16-13+.
What are the key properties of (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine?
(Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-but-3-en-2-ylimino-2,2,4-trimethylhept-4-en-1-amine is sourced from PubChem (CID 123446785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).