(E)-2-tert-butyl-4-methylhex-1-en-1-amine

C11H23N — CID 130457051

IUPAC(E)-2-tert-butyl-4-methylhex-1-en-1-amine
SMILESCCC(C)C/C(=C\N)C(C)(C)C
InChIInChI=1S/C11H23N/c1-6-9(2)7-10(8-12)11(3,4)5/h8-9H,6-7,12H2,1-5H3/b10-8+
InChIKeyDWYFDEUYVQNODL-CSKARUKUSA-N
MW169.31 g/mol
LogP3.31
Rot. Bonds3

About (E)-2-tert-butyl-4-methylhex-1-en-1-amine

(E)-2-tert-butyl-4-methylhex-1-en-1-amine (PubChem CID 130457051) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-2-tert-butyl-4-methylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-tert-butyl-4-methylhex-1-en-1-amine
PubChem CID130457051
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-2-tert-butyl-4-methylhex-1-en-1-amine
SMILESCCC(C)C/C(=C\N)C(C)(C)C
InChIInChI=1S/C11H23N/c1-6-9(2)7-10(8-12)11(3,4)5/h8-9H,6-7,12H2,1-5H3/b10-8+
InChIKeyDWYFDEUYVQNODL-CSKARUKUSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2-tert-butyl-4-methylhex-1-en-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

(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
3-methylpentanethioamide
CID 54078997
2-fluoro-2,5-dimethylheptan-3-one
CID 130562222
(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
3-ethyl-5-methylhept-2-ene
CID 90962982
tert-butyl (2S)-2-(3-methylpentanoylamino)propanoate
CID 104982280
tert-butyl (3R)-3-methylpentanoate
CID 158245009
2-methylbutyl 2,2-dimethylpropanoate
CID 20746726
3-ethyl-4,4,6-trimethyloct-2-ene
CID 123752738
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752
ethyl (3R)-3-methylpentanoate
CID 7567160
5-ethyl-7-methylnona-2,4-diene
CID 123846326

Frequently Asked Questions

What is the IUPAC name of (E)-2-tert-butyl-4-methylhex-1-en-1-amine?
The IUPAC name of (E)-2-tert-butyl-4-methylhex-1-en-1-amine (CID 130457051) is (E)-2-tert-butyl-4-methylhex-1-en-1-amine.
What is the SMILES notation for (E)-2-tert-butyl-4-methylhex-1-en-1-amine?
The canonical SMILES for (E)-2-tert-butyl-4-methylhex-1-en-1-amine is CCC(C)C/C(=C\N)C(C)(C)C.
What is the InChIKey of (E)-2-tert-butyl-4-methylhex-1-en-1-amine?
The InChIKey is DWYFDEUYVQNODL-CSKARUKUSA-N. The full InChI is InChI=1S/C11H23N/c1-6-9(2)7-10(8-12)11(3,4)5/h8-9H,6-7,12H2,1-5H3/b10-8+.
What are the key properties of (E)-2-tert-butyl-4-methylhex-1-en-1-amine?
(E)-2-tert-butyl-4-methylhex-1-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-tert-butyl-4-methylhex-1-en-1-amine is sourced from PubChem (CID 130457051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).