2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile

C12H20N2O — CID 62742963

IUPAC2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCC1CCOC1
InChIInChI=1S/C12H20N2O/c13-7-11-3-1-2-4-12(11)14-8-10-5-6-15-9-10/h10-12,14H,1-6,8-9H2
InChIKeyFCJIZKAWXZERGI-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.69
Rot. Bonds3

About 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile

2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 62742963) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID62742963
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCC1CCOC1
InChIInChI=1S/C12H20N2O/c13-7-11-3-1-2-4-12(11)14-8-10-5-6-15-9-10/h10-12,14H,1-6,8-9H2
InChIKeyFCJIZKAWXZERGI-UHFFFAOYSA-N
XLogP1.69
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile
CID 62741870
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
2-ethyl-N-(oxolan-3-ylmethyl)cyclopropan-1-amine
CID 103897099
2-(thian-2-ylmethylamino)cycloheptane-1-carbonitrile
CID 80600092
N-(oxolan-3-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543754
2-(prop-2-enylamino)cyclohexane-1-carbonitrile
CID 62743491
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
N-(oxan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 55243385
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 79082957

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile (CID 62742963) is 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile is N#CC1CCCCC1NCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is FCJIZKAWXZERGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-11-3-1-2-4-12(11)14-8-10-5-6-15-9-10/h10-12,14H,1-6,8-9H2.
What are the key properties of 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile?
2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62742963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).