1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine

C14H27NO — CID 107178329

IUPAC1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCC1(C)CCCCC1CNCC1CCCO1
InChIInChI=1S/C14H27NO/c1-14(2)8-4-3-6-12(14)10-15-11-13-7-5-9-16-13/h12-13,15H,3-11H2,1-2H3
InChIKeyAKRJZZXMMOWWLR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine

1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 107178329) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID107178329
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCC1(C)CCCCC1CNCC1CCCO1
InChIInChI=1S/C14H27NO/c1-14(2)8-4-3-6-12(14)10-15-11-13-7-5-9-16-13/h12-13,15H,3-11H2,1-2H3
InChIKeyAKRJZZXMMOWWLR-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627692
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627798
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
1-[(oxan-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65109047
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63133020
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
N-(oxan-2-ylmethyl)but-2-yn-1-amine
CID 62311939
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine (CID 107178329) is 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine is CC1(C)CCCCC1CNCC1CCCO1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is AKRJZZXMMOWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2)8-4-3-6-12(14)10-15-11-13-7-5-9-16-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 107178329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).