N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine

C13H27N — CID 131065518

IUPACN-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine
SMILESCC(C)C1(C)CCC(NC(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)13(6)8-7-11(9-13)14-12(3,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyHXGIEEBKHJIMRN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds2

About N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine

N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine (PubChem CID 131065518) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine
PubChem CID131065518
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine
SMILESCC(C)C1(C)CCC(NC(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-10(2)13(6)8-7-11(9-13)14-12(3,4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyHXGIEEBKHJIMRN-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-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

N,3-dimethyl-3-(3-methylbutan-2-yl)cyclopentan-1-amine
CID 130729793
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
3-ethyl-1-methyl-1-propan-2-ylcyclopentane
CID 91433980
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine
CID 158930420
N-tert-butyl-2-oxaspiro[3.5]nonan-7-amine
CID 139319990
3-methyl-3-propan-2-yl-9-azabicyclo[4.2.1]nonane
CID 134214633
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
N-tert-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 121450520
2-chloro-1-(3-methyl-3-propan-2-ylcyclopentyl)propan-1-ol
CID 134220532
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
1,1-dimethyl-2-propan-2-ylcyclopropane;methane;1-methyl-1-propan-2-ylcyclopropane
CID 162220586

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine (CID 131065518) is N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine is CC(C)C1(C)CCC(NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine?
The InChIKey is HXGIEEBKHJIMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)13(6)8-7-11(9-13)14-12(3,4)5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine?
N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-3-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 131065518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).