3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine

C13H27N — CID 81418144

IUPAC3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(C(C)(C)C)C1(C)C
InChIInChI=1S/C13H27N/c1-7-8-14-11-9-10(12(2,3)4)13(11,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyMKZVPLMENNIRMX-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds3

About 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine

3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 81418144) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID81418144
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(C(C)(C)C)C1(C)C
InChIInChI=1S/C13H27N/c1-7-8-14-11-9-10(12(2,3)4)13(11,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyMKZVPLMENNIRMX-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-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

3-methoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357970
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
2,2,3,3-tetramethyl-N-propylcyclobutan-1-amine
CID 91326970
2,2-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
2-tert-butyl-4-ethyl-1,1-dimethylcyclobutane
CID 90808288
N-butyl-2,2-dimethylcyclopropan-1-amine
CID 61223200
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
3-(3-fluoro-4-methylphenyl)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81417937
3-(3-methoxycyclohexyl)oxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351596

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 81418144) is 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(C(C)(C)C)C1(C)C.
What is the InChIKey of 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is MKZVPLMENNIRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-7-8-14-11-9-10(12(2,3)4)13(11,5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81418144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).