5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine

C15H31NO — CID 54966296

IUPAC5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
SMILESCC1CCC(C(C)C)C(OCCCCCN)C1
InChIInChI=1S/C15H31NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-6-4-5-9-16/h12-15H,4-11,16H2,1-3H3
InChIKeyFZBLOFIPVORTID-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.59
Rot. Bonds7

About 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine

5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine (PubChem CID 54966296) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine.

Molecular Properties

Compound Name5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
PubChem CID54966296
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
SMILESCC1CCC(C(C)C)C(OCCCCCN)C1
InChIInChI=1S/C15H31NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-6-4-5-9-16/h12-15H,4-11,16H2,1-3H3
InChIKeyFZBLOFIPVORTID-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
2,2-dimethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyhexan-1-amine
CID 106708589
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide
CID 43254214
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1-sulfonic acid
CID 87267060
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine?
The IUPAC name of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine (CID 54966296) is 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine.
What is the SMILES notation for 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine?
The canonical SMILES for 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine is CC1CCC(C(C)C)C(OCCCCCN)C1.
What is the InChIKey of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine?
The InChIKey is FZBLOFIPVORTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)14-8-7-13(3)11-15(14)17-10-6-4-5-9-16/h12-15H,4-11,16H2,1-3H3.
What are the key properties of 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine?
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine is sourced from PubChem (CID 54966296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).