N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine

C12H23N — CID 129227514

IUPACN-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine
SMILESC=C(NC1CCC1)C(C)(C)C(C)C
InChIInChI=1S/C12H23N/c1-9(2)12(4,5)10(3)13-11-7-6-8-11/h9,11,13H,3,6-8H2,1-2,4-5H3
InChIKeyNNYDZGRHCIZPRF-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.32
Rot. Bonds4

About N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine

N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine (PubChem CID 129227514) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine.

Molecular Properties

Compound NameN-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine
PubChem CID129227514
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine
SMILESC=C(NC1CCC1)C(C)(C)C(C)C
InChIInChI=1S/C12H23N/c1-9(2)12(4,5)10(3)13-11-7-6-8-11/h9,11,13H,3,6-8H2,1-2,4-5H3
InChIKeyNNYDZGRHCIZPRF-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine 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

N-[1-(1-fluorocyclobutyl)ethenyl]-2,2,4-trimethylpentan-3-amine
CID 171516200
3-methyl-N-propan-2-ylpent-1-en-2-amine
CID 57633818
3,4-dimethyl-N-propan-2-ylpent-1-en-2-amine
CID 58181553
N-butyl-3,3-dimethylpent-1-en-2-amine
CID 59096553
N-(3-methylbut-1-en-2-yl)cyclobutanamine
CID 68200628
N-(3,4-dimethylpent-1-en-2-yl)cyclopropanamine
CID 70309039
4-methyl-N-propan-2-ylpent-1-en-2-amine
CID 89706908
4,4-dimethyl-N-propan-2-ylpent-1-en-2-amine
CID 89707026
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
CID 89841622
(2S)-N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
CID 89841623
(2R)-N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethylbutan-2-amine
CID 89841625
3,3-dimethyl-N-propylpent-1-en-2-amine
CID 117884181

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine?
The IUPAC name of N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine (CID 129227514) is N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine.
What is the SMILES notation for N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine?
The canonical SMILES for N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine is C=C(NC1CCC1)C(C)(C)C(C)C.
What is the InChIKey of N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine?
The InChIKey is NNYDZGRHCIZPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12(4,5)10(3)13-11-7-6-8-11/h9,11,13H,3,6-8H2,1-2,4-5H3.
What are the key properties of N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine?
N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine has a molecular weight of 181.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4-trimethylpent-1-en-2-yl)cyclobutanamine is sourced from PubChem (CID 129227514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).