4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

C17H33NO — CID 65170355

IUPAC4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(CCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO/c1-2-3-6-15-9-12-17(18,13-10-15)11-4-7-16-8-5-14-19-16/h15-16H,2-14,18H2,1H3
InChIKeyMGNAVBRYXIAUOD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.41
Rot. Bonds7

About 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 65170355) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID65170355
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCCCCC1CCC(N)(CCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO/c1-2-3-6-15-9-12-17(18,13-10-15)11-4-7-16-8-5-14-19-16/h15-16H,2-14,18H2,1H3
InChIKeyMGNAVBRYXIAUOD-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyloxolane;pentylcyclopentane
CID 143579314
4-butyl-1-hexylcyclohexan-1-amine
CID 65020342
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
1-[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 65166135
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
2-tetradecyloxolane
CID 10683364
1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65166942
2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
N-[[4-butyl-1-(oxolan-2-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 63521135
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65166842

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 65170355) is 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is CCCCC1CCC(N)(CCCC2CCCO2)CC1.
What is the InChIKey of 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is MGNAVBRYXIAUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-6-15-9-12-17(18,13-10-15)11-4-7-16-8-5-14-19-16/h15-16H,2-14,18H2,1H3.
What are the key properties of 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 65170355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).