N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine

C17H29N — CID 114095713

IUPACN-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
SMILESCC1CC(NC2C3C4CCC(C4)C23)CC(C)(C)C1
InChIInChI=1S/C17H29N/c1-10-6-13(9-17(2,3)8-10)18-16-14-11-4-5-12(7-11)15(14)16/h10-16,18H,4-9H2,1-3H3
InChIKeySUJDCISWAQNINN-UHFFFAOYSA-N
MW247.43 g/mol
LogP3.84
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine

N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114095713) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114095713
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
SMILESCC1CC(NC2C3C4CCC(C4)C23)CC(C)(C)C1
InChIInChI=1S/C17H29N/c1-10-6-13(9-17(2,3)8-10)18-16-14-11-4-5-12(7-11)15(14)16/h10-16,18H,4-9H2,1-3H3
InChIKeySUJDCISWAQNINN-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine
CID 43081420
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61222833
4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 62314944
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
1-cyclohexyl-2-(3,3,5-trimethylcyclohexyl)hydrazine
CID 70127038
4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
CID 115923407
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
(5R)-3-tert-butyl-1,1,5-trimethylcyclohexane
CID 59984592
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199

Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine (CID 114095713) is N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine is CC1CC(NC2C3C4CCC(C4)C23)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is SUJDCISWAQNINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-10-6-13(9-17(2,3)8-10)18-16-14-11-4-5-12(7-11)15(14)16/h10-16,18H,4-9H2,1-3H3.
What are the key properties of N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine?
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114095713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).