(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine

C10H17N — CID 143162866

IUPAC(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(C(\C)=C/C)/N(C)C
InChIInChI=1S/C10H17N/c1-6-8-10(11(4)5)9(3)7-2/h6-8H,1H2,2-5H3/b9-7-,10-8+
InChIKeyLIMGTZWFIYGBHK-FKJILZIQSA-N
MW151.25 g/mol
LogP2.58
Rot. Bonds3

About (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine

(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine (PubChem CID 143162866) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine
PubChem CID143162866
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(C(\C)=C/C)/N(C)C
InChIInChI=1S/C10H17N/c1-6-8-10(11(4)5)9(3)7-2/h6-8H,1H2,2-5H3/b9-7-,10-8+
InChIKeyLIMGTZWFIYGBHK-FKJILZIQSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-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

Pentalene, 1,3-bis(dimethylamino)-
CID 139825
Ethanamine, 1-(2,4-cyclopentadien-1-ylidene)-N,N-dimethyl-
CID 585126
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
Dimethylaminofulvene
CID 90007951
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
(3Z,5E)-3-fluoro-N,N,6,7-tetramethylocta-1,3,5-trien-4-amine
CID 134375788
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
CID 142309007
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine (CID 143162866) is (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine is C=C/C=C(C(\C)=C/C)/N(C)C.
What is the InChIKey of (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine?
The InChIKey is LIMGTZWFIYGBHK-FKJILZIQSA-N. The full InChI is InChI=1S/C10H17N/c1-6-8-10(11(4)5)9(3)7-2/h6-8H,1H2,2-5H3/b9-7-,10-8+.
What are the key properties of (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine?
(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine has a molecular weight of 151.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 143162866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).