N-(3,3,5-trimethylcyclohexyl)cycloheptanamine

C16H31N — CID 43081420

IUPACN-(3,3,5-trimethylcyclohexyl)cycloheptanamine
SMILESCC1CC(NC2CCCCCC2)CC(C)(C)C1
InChIInChI=1S/C16H31N/c1-13-10-15(12-16(2,3)11-13)17-14-8-6-4-5-7-9-14/h13-15,17H,4-12H2,1-3H3
InChIKeyDALLMKUMJHLUPS-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.51
Rot. Bonds2

About N-(3,3,5-trimethylcyclohexyl)cycloheptanamine

N-(3,3,5-trimethylcyclohexyl)cycloheptanamine (PubChem CID 43081420) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)cycloheptanamine
PubChem CID43081420
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(3,3,5-trimethylcyclohexyl)cycloheptanamine
SMILESCC1CC(NC2CCCCCC2)CC(C)(C)C1
InChIInChI=1S/C16H31N/c1-13-10-15(12-16(2,3)11-13)17-14-8-6-4-5-7-9-14/h13-15,17H,4-12H2,1-3H3
InChIKeyDALLMKUMJHLUPS-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
1-cyclohexyl-2-(3,3,5-trimethylcyclohexyl)hydrazine
CID 70127038
4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 62314944
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61222833
N-(3,3,4-trimethylcyclopentyl)cyclohexanamine
CID 170208159
N-(3-methylcyclobutyl)cyclopentanamine
CID 115671682
N-(3,3-dimethylcyclopentyl)cyclododecanamine
CID 114544295
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
CID 114095713
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
N-(2,4,4-trimethylcyclopentyl)cyclohexanamine
CID 106661501
N-(3,3,5-trimethylcyclohexyl)piperidin-1-amine
CID 83006874
N-cyclohexylcyclohexanamine;ethane
CID 67925930

Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)cycloheptanamine?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)cycloheptanamine (CID 43081420) is N-(3,3,5-trimethylcyclohexyl)cycloheptanamine.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)cycloheptanamine?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)cycloheptanamine is CC1CC(NC2CCCCCC2)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)cycloheptanamine?
The InChIKey is DALLMKUMJHLUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13-10-15(12-16(2,3)11-13)17-14-8-6-4-5-7-9-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-(3,3,5-trimethylcyclohexyl)cycloheptanamine?
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine has a molecular weight of 237.43 g/mol, XLogP of 4.51, 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)cycloheptanamine is sourced from PubChem (CID 43081420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).