(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine

C12H21N — CID 142308871

IUPAC(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C/C=C/N(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-6-12(11(2)3)9-7-8-10-13(4)5/h6-11H,1-5H3/b9-7-,10-8+,12-6+
InChIKeyFKFCNTLKGNGKPH-MHHXQCSRSA-N
MW179.31 g/mol
LogP3.22
Rot. Bonds4

About (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine (PubChem CID 142308871) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine
PubChem CID142308871
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C/C=C/N(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-6-12(11(2)3)9-7-8-10-13(4)5/h6-11H,1-5H3/b9-7-,10-8+,12-6+
InChIKeyFKFCNTLKGNGKPH-MHHXQCSRSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
(1E,3E)-N,N-dimethylpenta-1,3-dien-1-amine
CID 15260182
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
methyl 5-(dimethylamino)penta-2,4-dienoate
CID 85176290
bis(diethylamino)-[(1E,3E)-4-(dimethylamino)buta-1,3-dienyl]-methylphosphanium bromide
CID 53468322
(Z)-1-(dimethylamino)-5-methylhex-1-en-3-one
CID 131248590
2-propan-2-ylbut-2-enal
CID 54145685
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
(E,4Z)-5-methyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 143080531
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
CID 130511571

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine (CID 142308871) is (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine is C/C=C(\C=C/C=C/N(C)C)C(C)C.
What is the InChIKey of (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine?
The InChIKey is FKFCNTLKGNGKPH-MHHXQCSRSA-N. The full InChI is InChI=1S/C12H21N/c1-6-12(11(2)3)9-7-8-10-13(4)5/h6-11H,1-5H3/b9-7-,10-8+,12-6+.
What are the key properties of (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 142308871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).