N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine

C15H31NO — CID 64731424

IUPACN-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
SMILESCCCC(C)NCCOC1CC(C)CC(C)C1
InChIInChI=1S/C15H31NO/c1-5-6-14(4)16-7-8-17-15-10-12(2)9-13(3)11-15/h12-16H,5-11H2,1-4H3
InChIKeyJBIWTGCJKBVKLN-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine (PubChem CID 64731424) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
PubChem CID64731424
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
SMILESCCCC(C)NCCOC1CC(C)CC(C)C1
InChIInChI=1S/C15H31NO/c1-5-6-14(4)16-7-8-17-15-10-12(2)9-13(3)11-15/h12-16H,5-11H2,1-4H3
InChIKeyJBIWTGCJKBVKLN-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-2-amine
CID 55194368
5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 64731034
N-(2-cyclopentyloxyethyl)octan-2-amine
CID 55259713
N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine
CID 63475619
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 64731235
1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
CID 107506878
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
CID 64731413

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine?
The IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine (CID 64731424) is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine is CCCC(C)NCCOC1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine?
The InChIKey is JBIWTGCJKBVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-6-14(4)16-7-8-17-15-10-12(2)9-13(3)11-15/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine?
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine is sourced from PubChem (CID 64731424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).