(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine

C17H33NO — CID 116766285

IUPAC(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(C(N)C2CCC(C)C(C)C2)CCC(C)CC1
InChIInChI=1S/C17H33NO/c1-12-7-9-17(19-4,10-8-12)16(18)15-6-5-13(2)14(3)11-15/h12-16H,5-11,18H2,1-4H3
InChIKeySQGMDPBCVFAOTG-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.98
Rot. Bonds3

About (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine

(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine (PubChem CID 116766285) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
PubChem CID116766285
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
SMILESCOC1(C(N)C2CCC(C)C(C)C2)CCC(C)CC1
InChIInChI=1S/C17H33NO/c1-12-7-9-17(19-4,10-8-12)16(18)15-6-5-13(2)14(3)11-15/h12-16H,5-11,18H2,1-4H3
InChIKeySQGMDPBCVFAOTG-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-Methoxycyclohexyl)cyclohexyl]propan-1-amine
CID 126539680
(3R)-1-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-3-(4-methoxycyclohexyl)-4-methylhexan-1-amine
CID 155353341
[1-(2-Methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 55191919
[1-(Cyclohexylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 55192682
[1-(2-Ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 63473538
[1-(4-Methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 63475151
[1-(Cyclohexylmethoxy)-4-propylcyclohexyl]methanamine
CID 63475213
[4-Tert-butyl-1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 63475214
(1-Heptoxy-4-propan-2-ylcyclohexyl)methanamine
CID 63475707
(1-Octoxy-4-propan-2-ylcyclohexyl)methanamine
CID 63475733
[1-(3-Ethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 64257530
[1-(3,5-Dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 64731650

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine (CID 116766285) is (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine is COC1(C(N)C2CCC(C)C(C)C2)CCC(C)CC1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
The InChIKey is SQGMDPBCVFAOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12-7-9-17(19-4,10-8-12)16(18)15-6-5-13(2)14(3)11-15/h12-16H,5-11,18H2,1-4H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine?
(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine has a molecular weight of 267.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine is sourced from PubChem (CID 116766285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).