N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine

C11H19N — CID 3720431

IUPACN,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
SMILESCCNC1C2CC3C1C3(CC)C2
InChIInChI=1S/C11H19N/c1-3-11-6-7-5-8(11)9(11)10(7)12-4-2/h7-10,12H,3-6H2,1-2H3
InChIKeyJXABZUKPGATLHK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.03
Rot. Bonds3

About N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine

N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine (PubChem CID 3720431) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine.

Molecular Properties

Compound NameN,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
PubChem CID3720431
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
SMILESCCNC1C2CC3C1C3(CC)C2
InChIInChI=1S/C11H19N/c1-3-11-6-7-5-8(11)9(11)10(7)12-4-2/h7-10,12H,3-6H2,1-2H3
InChIKeyJXABZUKPGATLHK-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N,1-diethyltricyclo[2.2.1.02,6]heptan-3-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

(1S,2S,3R,4S,6S)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
CID 124776227
(1R,2R,3S,4R,6R)-N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine
CID 98751418
(6S,8S)-1-ethyl-6-methyltricyclo[3.2.1.03,8]octane-6,7-diol
CID 139312497
1-ethyltricyclo[2.2.1.02,6]heptane
CID 12951260
2-ethylspiro[cyclopropane-1,3'-tricyclo[4.1.0.02,4]heptane]
CID 163933579
N,3-diethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 89045377
(1S,2R,4R,5S)-N-ethyl-4,6,6-trimethylbicyclo[3.1.1]heptan-2-amine
CID 130848992
N,2,2-triethyl-3-propan-2-yloxycyclobutan-1-amine
CID 66359205
(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine
CID 174007558
N,2,2-triethyl-3-propoxycyclobutan-1-amine
CID 66358672
(1R,2S,4R,6R)-1-ethyltricyclo[2.2.1.02,6]heptan-3-one
CID 40557881
(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284

Frequently Asked Questions

What is the IUPAC name of N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
The IUPAC name of N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine (CID 3720431) is N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine.
What is the SMILES notation for N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
The canonical SMILES for N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine is CCNC1C2CC3C1C3(CC)C2.
What is the InChIKey of N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
The InChIKey is JXABZUKPGATLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-11-6-7-5-8(11)9(11)10(7)12-4-2/h7-10,12H,3-6H2,1-2H3.
What are the key properties of N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine?
N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine has a molecular weight of 165.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyltricyclo[2.2.1.02,6]heptan-3-amine is sourced from PubChem (CID 3720431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).