1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine

C13H25N — CID 130494691

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)C1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-4-13(2,3)12(14)11-8-9-5-6-10(11)7-9/h9-12H,4-8,14H2,1-3H3
InChIKeyAXINYYCVECKWKU-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine

1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine (PubChem CID 130494691) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
PubChem CID130494691
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)C1CC2CCC1C2
InChIInChI=1S/C13H25N/c1-4-13(2,3)12(14)11-8-9-5-6-10(11)7-9/h9-12H,4-8,14H2,1-3H3
InChIKeyAXINYYCVECKWKU-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-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-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 130631730
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
CID 103032021
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
[2-(2-bicyclo[2.2.1]heptanyl)-2-(2-methylpentan-2-yloxy)ethyl] 2,2-dimethylbutanoate
CID 138601287
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822672
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
CID 58636264
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine (CID 130494691) is 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine?
The InChIKey is AXINYYCVECKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-13(2,3)12(14)11-8-9-5-6-10(11)7-9/h9-12H,4-8,14H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine?
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 130494691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).