3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine

C14H27NO — CID 60985486

IUPAC3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESC1CCC(CCCNCC2CCCO2)CC1
InChIInChI=1S/C14H27NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h13-15H,1-12H2
InChIKeyWULINCBIXLQHKT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.12
Rot. Bonds6

About 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine

3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 60985486) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID60985486
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESC1CCC(CCCNCC2CCCO2)CC1
InChIInChI=1S/C14H27NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h13-15H,1-12H2
InChIKeyWULINCBIXLQHKT-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.12
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

3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
2-(2-cyclobutylethoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 106206326
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine (CID 60985486) is 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine is C1CCC(CCCNCC2CCCO2)CC1.
What is the InChIKey of 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is WULINCBIXLQHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h13-15H,1-12H2.
What are the key properties of 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine?
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 60985486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).