3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine

C14H27NO — CID 64747200

IUPAC3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCC2CCCOC2)CC1C
InChIInChI=1S/C14H27NO/c1-11-5-6-14(8-12(11)2)15-9-13-4-3-7-16-10-13/h11-15H,3-10H2,1-2H3
InChIKeyQCJCQXHKNIUNLR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds3

About 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine

3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 64747200) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
PubChem CID64747200
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCC2CCCOC2)CC1C
InChIInChI=1S/C14H27NO/c1-11-5-6-14(8-12(11)2)15-9-13-4-3-7-16-10-13/h11-15H,3-10H2,1-2H3
InChIKeyQCJCQXHKNIUNLR-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 103922834
N-(oxan-3-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091408
3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 64745632
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
CID 115336064
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 80705483
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
3-N-(oxolan-3-ylmethyl)cyclopentane-1,3-diamine
CID 79461363
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2,6-dimethyl-N-(oxan-3-ylmethyl)piperidin-1-amine
CID 83007500
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine (CID 64747200) is 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine is CC1CCC(NCC2CCCOC2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is QCJCQXHKNIUNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-5-6-14(8-12(11)2)15-9-13-4-3-7-16-10-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine?
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64747200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).