(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine

C13H27N — CID 59907710

IUPAC(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine
SMILESC[C@@H](C(N)/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-10(13(5,6)7)11(14)8-9-12(2,3)4/h8-11H,14H2,1-7H3/b9-8+/t10-,11?/m0/s1
InChIKeyIDMIZPHPDRDHPT-GQUHTFLRSA-N
MW197.37 g/mol
LogP3.60
Rot. Bonds2

About (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine

(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine (PubChem CID 59907710) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine.

Molecular Properties

Compound Name(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine
PubChem CID59907710
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine
SMILESC[C@@H](C(N)/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-10(13(5,6)7)11(14)8-9-12(2,3)4/h8-11H,14H2,1-7H3/b9-8+/t10-,11?/m0/s1
InChIKeyIDMIZPHPDRDHPT-GQUHTFLRSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,3R)-2,2,3,7,7-pentamethyloct-5-en-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

4,4-Dimethylcyclohex-2-en-1-amine
CID 55290143
(Z,3R)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine
CID 130241025
(Z,3S)-2-(2-fluoroethyl)-3-methylhex-4-en-1-amine
CID 173701041
(3R,4E,6S)-8-fluoro-2,2,3,6-tetramethyldeca-4,9-dien-1-amine
CID 173813996
2-Ethyl-2-hexenylaniline
CID 129681532
2-(2,5-Dimethylcyclopent-3-en-1-yl)ethanamine
CID 17922416
1-(2,2,3-Trimethylcyclopent-3-en-1-yl)ethanamine
CID 20040004
2,6-Dimethylhept-2-en-4-amine
CID 20044128
2,6-Dimethylhept-2-en-4-amine;hydrochloride
CID 20044180
(4E,8E)-2,2-diethyl-12-methyltrideca-4,8-diene-1,11-diamine
CID 20209202
(4E,8E)-2,2-dimethyltrideca-4,8-diene-1,11-diamine
CID 20209203
2-Ethyl-2-methylaniline
CID 20305842

Frequently Asked Questions

What is the IUPAC name of (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine?
The IUPAC name of (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine (CID 59907710) is (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine.
What is the SMILES notation for (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine?
The canonical SMILES for (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine is C[C@@H](C(N)/C=C/C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine?
The InChIKey is IDMIZPHPDRDHPT-GQUHTFLRSA-N. The full InChI is InChI=1S/C13H27N/c1-10(13(5,6)7)11(14)8-9-12(2,3)4/h8-11H,14H2,1-7H3/b9-8+/t10-,11?/m0/s1.
What are the key properties of (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine?
(E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine has a molecular weight of 197.37 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-2,2,3,7,7-pentamethyloct-5-en-4-amine is sourced from PubChem (CID 59907710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).