N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine

C13H26N2O — CID 115752858

IUPACN-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine
SMILESCN(C)CC1CCC(NC2CCOC2)CC1
InChIInChI=1S/C13H26N2O/c1-15(2)9-11-3-5-12(6-4-11)14-13-7-8-16-10-13/h11-14H,3-10H2,1-2H3
InChIKeySOCGOFMBSBKPGL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds4

About N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine

N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine (PubChem CID 115752858) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine
PubChem CID115752858
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine
SMILESCN(C)CC1CCC(NC2CCOC2)CC1
InChIInChI=1S/C13H26N2O/c1-15(2)9-11-3-5-12(6-4-11)14-13-7-8-16-10-13/h11-14H,3-10H2,1-2H3
InChIKeySOCGOFMBSBKPGL-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
(4-Ethylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2058130
(4-Methylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2846678
4-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 784225
N-[cyclohexyl(cyclopropyl)methyl]oxolan-3-amine
CID 91636206
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 63335517
N-[2-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 63335575
N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 63335580
N-[2-(3-methylbutoxy)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753670
N-(2-butoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755677
4-methyl-N-[2-(4,4,4-trifluorobutoxy)ethyl]cyclohexan-1-amine
CID 82792212

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine?
The IUPAC name of N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine (CID 115752858) is N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine?
The canonical SMILES for N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine is CN(C)CC1CCC(NC2CCOC2)CC1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine?
The InChIKey is SOCGOFMBSBKPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(2)9-11-3-5-12(6-4-11)14-13-7-8-16-10-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine?
N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 115752858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).