N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine

C15H31NO — CID 83044629

IUPACN-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
SMILESCCCC(CNC)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31NO/c1-6-7-13(11-16-5)17-14-8-12(2)9-15(3,4)10-14/h12-14,16H,6-11H2,1-5H3
InChIKeyQDIANOODYZUSAO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine

N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine (PubChem CID 83044629) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
PubChem CID83044629
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
SMILESCCCC(CNC)OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31NO/c1-6-7-13(11-16-5)17-14-8-12(2)9-15(3,4)10-14/h12-14,16H,6-11H2,1-5H3
InChIKeyQDIANOODYZUSAO-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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Related Compounds

N-[2-(3,3,5-trimethylcyclohexyl)oxypentyl]cyclopropanamine
CID 83044983
N-ethyl-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62456955
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
3-(3,3,5-trimethylcyclohexyl)oxypentanimidamide
CID 43368865
4-(3,3,5-trimethylcyclohexyl)oxypentan-2-amine
CID 64708543
3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 63492137
N-[3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutyl]cyclopropanamine
CID 63492299
3-amino-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64899608
1-(3,3,5-trimethylcyclohexyl)butan-1-amine
CID 83048656
3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 62457350
3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-ol
CID 66368346
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
CID 55036865

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine?
The IUPAC name of N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine (CID 83044629) is N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine.
What is the SMILES notation for N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine?
The canonical SMILES for N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine is CCCC(CNC)OC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine?
The InChIKey is QDIANOODYZUSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-7-13(11-16-5)17-14-8-12(2)9-15(3,4)10-14/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine?
N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-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-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine is sourced from PubChem (CID 83044629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).