[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine

C18H35NO — CID 64731650

IUPAC[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CC(C)CC(OC2(CN)CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H35NO/c1-13(2)16-5-7-18(12-19,8-6-16)20-17-10-14(3)9-15(4)11-17/h13-17H,5-12,19H2,1-4H3
InChIKeyIAIUKDKQNBMCPB-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.37
Rot. Bonds4

About [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine

[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 64731650) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
PubChem CID64731650
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CC(C)CC(OC2(CN)CCC(C(C)C)CC2)C1
InChIInChI=1S/C18H35NO/c1-13(2)16-5-7-18(12-19,8-6-16)20-17-10-14(3)9-15(4)11-17/h13-17H,5-12,19H2,1-4H3
InChIKeyIAIUKDKQNBMCPB-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
CID 65052713
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 112587831
[1-(3,4-dimethylcyclohexyl)oxycyclohexyl]methanamine
CID 64745349
1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 114342149
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
CID 79125813
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65052864

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine (CID 64731650) is [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine is CC1CC(C)CC(OC2(CN)CCC(C(C)C)CC2)C1.
What is the InChIKey of [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is IAIUKDKQNBMCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-13(2)16-5-7-18(12-19,8-6-16)20-17-10-14(3)9-15(4)11-17/h13-17H,5-12,19H2,1-4H3.
What are the key properties of [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 281.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 64731650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).