1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine

C15H27N — CID 66047372

IUPAC1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
SMILESC=C(CC)CNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H27N/c1-6-11(2)10-16-13-14(3,4)12-7-8-15(13,5)9-12/h12-13,16H,2,6-10H2,1,3-5H3
InChIKeyOFXJGXBZUAGQKU-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.76
Rot. Bonds4

About 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine

1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 66047372) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID66047372
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine
SMILESC=C(CC)CNC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H27N/c1-6-11(2)10-16-13-14(3,4)12-7-8-15(13,5)9-12/h12-13,16H,2,6-10H2,1,3-5H3
InChIKeyOFXJGXBZUAGQKU-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-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

(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
N-tert-butyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]acetamide
CID 115400176
2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 115400209
2-methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65108207
4,4-dimethyl-1-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]cyclohexan-1-ol
CID 115400849
3-[[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]methyl]pentan-1-ol
CID 113302762
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525
(1R,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 14891015
(1R,4S)-N-(2-methoxyethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400162
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
1,3,3-trimethyl-N-(2,2,3,3-tetrafluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 114169083
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine (CID 66047372) is 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine is C=C(CC)CNC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is OFXJGXBZUAGQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-11(2)10-16-13-14(3,4)12-7-8-15(13,5)9-12/h12-13,16H,2,6-10H2,1,3-5H3.
What are the key properties of 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine?
1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-(2-methylidenebutyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 66047372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).