(E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine

C12H23N — CID 134512056

IUPAC(E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine
SMILESC=C(C)N/C(=C(\C)C(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-8(2)11(7)12(9(3)4)13-10(5)6/h8-9,13H,5H2,1-4,6-7H3/b12-11+
InChIKeyZZQZXOJRLHFIRJ-VAWYXSNFSA-N
MW181.32 g/mol
LogP3.70
Rot. Bonds4

About (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine

(E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine (PubChem CID 134512056) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine.

Molecular Properties

Compound Name(E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine
PubChem CID134512056
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine
SMILESC=C(C)N/C(=C(\C)C(C)C)C(C)C
InChIInChI=1S/C12H23N/c1-8(2)11(7)12(9(3)4)13-10(5)6/h8-9,13H,5H2,1-4,6-7H3/b12-11+
InChIKeyZZQZXOJRLHFIRJ-VAWYXSNFSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-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

methane;(Z)-2,3,4,5-tetramethylhex-3-ene;(E)-2,3,4,5-tetramethylhex-3-ene
CID 161097810
(2Z,4Z,7Z)-3,7,8,9-tetramethyl-6-methylidenedeca-2,4,7-triene
CID 142494492
(3E)-2,4,5-trimethylhexa-1,3-dien-3-ol
CID 144743244
2,3,4-trimethylpent-2-ene
CID 11270
N-(1-fluoroethenyl)prop-1-en-2-amine
CID 145377112
(3E)-6-methyl-5-methylidene-3-propan-2-yl-N-prop-1-en-2-ylhepta-1,3-dien-4-amine
CID 144792182
(2E,4Z)-3-methyl-5-propan-2-yl-N-prop-1-en-2-ylhepta-2,4,6-trien-2-amine
CID 155109514
ethane;N-prop-1-en-2-ylpropan-2-amine
CID 143917378
(Z)-N,3,4-trimethylpent-2-en-2-amine
CID 59961887
(Z)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 142199904
2,3,4,5,6,7,8,9,10,11-decamethyldodeca-3,6,9-triene
CID 123882095
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804

Frequently Asked Questions

What is the IUPAC name of (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine?
The IUPAC name of (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine (CID 134512056) is (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine.
What is the SMILES notation for (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine?
The canonical SMILES for (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine is C=C(C)N/C(=C(\C)C(C)C)C(C)C.
What is the InChIKey of (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine?
The InChIKey is ZZQZXOJRLHFIRJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)11(7)12(9(3)4)13-10(5)6/h8-9,13H,5H2,1-4,6-7H3/b12-11+.
What are the key properties of (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine?
(E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4,5-trimethyl-N-prop-1-en-2-ylhex-3-en-3-amine is sourced from PubChem (CID 134512056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).