1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C19H37NO — CID 114342149

IUPAC1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(OC2CCC(C)(C)CC2)CCC(C(C)C)CC1
InChIInChI=1S/C19H37NO/c1-15(2)16-6-12-19(13-7-16,14-20-5)21-17-8-10-18(3,4)11-9-17/h15-17,20H,6-14H2,1-5H3
InChIKeyPXBHYHWKLPRJER-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.78
Rot. Bonds5

About 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 114342149) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID114342149
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1(OC2CCC(C)(C)CC2)CCC(C(C)C)CC1
InChIInChI=1S/C19H37NO/c1-15(2)16-6-12-19(13-7-16,14-20-5)21-17-8-10-18(3,4)11-9-17/h15-17,20H,6-14H2,1-5H3
InChIKeyPXBHYHWKLPRJER-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine with MolForge

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Related Compounds

N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 55066097
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
CID 55036865
N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
CID 63559290
[1-(3,5-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
CID 64731650
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 62108168
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine
CID 165490215

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 114342149) is 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1(OC2CCC(C)(C)CC2)CCC(C(C)C)CC1.
What is the InChIKey of 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is PXBHYHWKLPRJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15(2)16-6-12-19(13-7-16,14-20-5)21-17-8-10-18(3,4)11-9-17/h15-17,20H,6-14H2,1-5H3.
What are the key properties of 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 295.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114342149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).