3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C16H31NO — CID 114193118

IUPAC3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCC1OC(C)C(C(N)CCC2CCCCC2)C1C
InChIInChI=1S/C16H31NO/c1-11-12(2)18-13(3)16(11)15(17)10-9-14-7-5-4-6-8-14/h11-16H,4-10,17H2,1-3H3
InChIKeyBFEOTTXGIAOWJH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.73
Rot. Bonds4

About 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 114193118) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID114193118
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCC1OC(C)C(C(N)CCC2CCCCC2)C1C
InChIInChI=1S/C16H31NO/c1-11-12(2)18-13(3)16(11)15(17)10-9-14-7-5-4-6-8-14/h11-16H,4-10,17H2,1-3H3
InChIKeyBFEOTTXGIAOWJH-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclohexylhexan-3-amine
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CID 114193048
3-(4-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115864775
4-cyclohexylbutane-1,1-diamine
CID 174921978
2-propoxy-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 105008598
3-cyclopentyl-1-(2,2-dimethylcyclohexyl)propan-1-amine
CID 114193227
1-cyclopentylundecan-3-amine
CID 115835660
5-cyclohexyl-2-methylpent-1-en-3-amine
CID 105005114
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 114193118) is 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is CC1OC(C)C(C(N)CCC2CCCCC2)C1C.
What is the InChIKey of 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is BFEOTTXGIAOWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-11-12(2)18-13(3)16(11)15(17)10-9-14-7-5-4-6-8-14/h11-16H,4-10,17H2,1-3H3.
What are the key properties of 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 114193118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).