N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine

C15H29NO — CID 43765410

IUPACN-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine
SMILESCOC1CCCCC1NC1CCCC(C)C1C
InChIInChI=1S/C15H29NO/c1-11-7-6-9-13(12(11)2)16-14-8-4-5-10-15(14)17-3/h11-16H,4-10H2,1-3H3
InChIKeyBNIHECGRCOGPOT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds3

About N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine

N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 43765410) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID43765410
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine
SMILESCOC1CCCCC1NC1CCCC(C)C1C
InChIInChI=1S/C15H29NO/c1-11-7-6-9-13(12(11)2)16-14-8-4-5-10-15(14)17-3/h11-16H,4-10H2,1-3H3
InChIKeyBNIHECGRCOGPOT-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine (CID 43765410) is N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine is COC1CCCCC1NC1CCCC(C)C1C.
What is the InChIKey of N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is BNIHECGRCOGPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-7-6-9-13(12(11)2)16-14-8-4-5-10-15(14)17-3/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine?
N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).