2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 13090580

IUPAC2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCC1CCCO1
InChIInChI=1S/C13H25NO/c1-10-5-3-6-11(2)13(10)14-9-12-7-4-8-15-12/h10-14H,3-9H2,1-2H3
InChIKeySGMMHUTXGUSVPO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 13090580) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID13090580
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(C)C1NCC1CCCO1
InChIInChI=1S/C13H25NO/c1-10-5-3-6-11(2)13(10)14-9-12-7-4-8-15-12/h10-14H,3-9H2,1-2H3
InChIKeySGMMHUTXGUSVPO-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
1-Cyclohexyl-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3144577
N-(2,6-Dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 71916925
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753822
N-[1-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756483
N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757254
N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758061
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758790
N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759795
N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80183075
N-(oxolan-2-ylmethyl)-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 81931212
N-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 82833913

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 13090580) is 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CC1CCCC(C)C1NCC1CCCO1.
What is the InChIKey of 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is SGMMHUTXGUSVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-3-6-11(2)13(10)14-9-12-7-4-8-15-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 13090580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).