3-(oxolan-2-ylmethyl)cyclohexan-1-amine

C11H21NO — CID 64504353

IUPAC3-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCC(CC2CCCO2)C1
InChIInChI=1S/C11H21NO/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h9-11H,1-8,12H2
InChIKeyULBWBAROBQTWSV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.07
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)cyclohexan-1-amine

3-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64504353) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID64504353
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCC(CC2CCCO2)C1
InChIInChI=1S/C11H21NO/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h9-11H,1-8,12H2
InChIKeyULBWBAROBQTWSV-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
2-(cyclopropylmethyl)oxolane
CID 57067840
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 126845754
4-(oxolan-2-ylmethyl)azepane
CID 126845756
2-(3-aminocyclohexyl)-N-(oxan-2-ylmethyl)acetamide
CID 55116671
2-(oxan-2-ylmethyl)oxane
CID 67860654
[(2R)-oxolan-2-yl]methanamine
CID 2734124
3-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119805598
(3R,4R)-4-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 178190984
2-methyl-3-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64909404

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 64504353) is 3-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)cyclohexan-1-amine is NC1CCCC(CC2CCCO2)C1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ULBWBAROBQTWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c12-10-4-1-3-9(7-10)8-11-5-2-6-13-11/h9-11H,1-8,12H2.
What are the key properties of 3-(oxolan-2-ylmethyl)cyclohexan-1-amine?
3-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64504353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).