N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine

C13H27NO — CID 43177929

IUPACN-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOCC(C)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-10-6-12(8-13(3,4)7-10)14-11(2)9-15-5/h10-12,14H,6-9H2,1-5H3
InChIKeyWKXDJQJXMDXLBS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine

N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 43177929) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine
PubChem CID43177929
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOCC(C)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-10-6-12(8-13(3,4)7-10)14-11(2)9-15-5/h10-12,14H,6-9H2,1-5H3
InChIKeyWKXDJQJXMDXLBS-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine (CID 43177929) is N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine is COCC(C)NC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is WKXDJQJXMDXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-6-12(8-13(3,4)7-10)14-11(2)9-15-5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine?
N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 43177929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).