[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine

C17H33NO — CID 65424498

IUPAC[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(CCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)15-7-10-17(13-18,11-8-15)9-3-5-16-6-4-12-19-16/h14-16H,3-13,18H2,1-2H3
InChIKeyYDOUKXCGJRDUEQ-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds6

About [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine

[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 65424498) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
PubChem CID65424498
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(CCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)15-7-10-17(13-18,11-8-15)9-3-5-16-6-4-12-19-16/h14-16H,3-13,18H2,1-2H3
InChIKeyYDOUKXCGJRDUEQ-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65158667
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
[1-(3-methylsulfonylpropyl)-4-propan-2-ylcyclohexyl]methanamine
CID 65425267
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
2-methyl-N-[[3-[3-(oxolan-2-yl)propyl]oxolan-3-yl]methyl]propan-1-amine
CID 65164937
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine (CID 65424498) is [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(CCCC2CCCO2)CC1.
What is the InChIKey of [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is YDOUKXCGJRDUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)15-7-10-17(13-18,11-8-15)9-3-5-16-6-4-12-19-16/h14-16H,3-13,18H2,1-2H3.
What are the key properties of [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine?
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 65424498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).