N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine

C15H31NO — CID 64738940

IUPACN-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine
SMILESCCC(C)NCC(C)OC1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-6-13(4)16-10-14(5)17-15-8-7-11(2)12(3)9-15/h11-16H,6-10H2,1-5H3
InChIKeyGGCGQXOAKPKBRM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine

N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine (PubChem CID 64738940) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine
PubChem CID64738940
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine
SMILESCCC(C)NCC(C)OC1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-6-13(4)16-10-14(5)17-15-8-7-11(2)12(3)9-15/h11-16H,6-10H2,1-5H3
InChIKeyGGCGQXOAKPKBRM-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine?
The IUPAC name of N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine (CID 64738940) is N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine?
The canonical SMILES for N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine is CCC(C)NCC(C)OC1CCC(C)C(C)C1.
What is the InChIKey of N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine?
The InChIKey is GGCGQXOAKPKBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-13(4)16-10-14(5)17-15-8-7-11(2)12(3)9-15/h11-16H,6-10H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine?
N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylcyclohexyl)oxypropyl]butan-2-amine is sourced from PubChem (CID 64738940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).