N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C15H31NO — CID 43177876

IUPACN-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)COC)CC1
InChIInChI=1S/C15H31NO/c1-6-15(3,4)13-7-9-14(10-8-13)16-12(2)11-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyIQCGCMMIVBJKHT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43177876) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43177876
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NC(C)COC)CC1
InChIInChI=1S/C15H31NO/c1-6-15(3,4)13-7-9-14(10-8-13)16-12(2)11-17-5/h12-14,16H,6-11H2,1-5H3
InChIKeyIQCGCMMIVBJKHT-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
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)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43177876) is N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NC(C)COC)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is IQCGCMMIVBJKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-15(3,4)13-7-9-14(10-8-13)16-12(2)11-17-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-(1-methoxypropan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 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)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43177876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).