N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine

C16H31NO — CID 55036865

IUPACN-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
SMILESCNCC1(OC2CC(C)CC(C)(C)C2)CCCC1
InChIInChI=1S/C16H31NO/c1-13-9-14(11-15(2,3)10-13)18-16(12-17-4)7-5-6-8-16/h13-14,17H,5-12H2,1-4H3
InChIKeyBCPUNRKXYNTZGJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds4

About N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine

N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine (PubChem CID 55036865) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
PubChem CID55036865
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
SMILESCNCC1(OC2CC(C)CC(C)(C)C2)CCCC1
InChIInChI=1S/C16H31NO/c1-13-9-14(11-15(2,3)10-13)18-16(12-17-4)7-5-6-8-16/h13-14,17H,5-12H2,1-4H3
InChIKeyBCPUNRKXYNTZGJ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213
2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273206
N-ethyl-2-[1-(3,3,5-trimethylcyclohexyl)oxycyclobutyl]ethanamine
CID 103273209
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 114342149
N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine
CID 63475700
1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 62106218
2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357422
N-methyl-2-(3,3,5-trimethylcyclohexyl)oxypentan-1-amine
CID 83044629
3-(3,3,5-trimethylcyclohexyl)oxyazetidine
CID 62783894
N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
CID 63559290
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine (CID 55036865) is N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine is CNCC1(OC2CC(C)CC(C)(C)C2)CCCC1.
What is the InChIKey of N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine?
The InChIKey is BCPUNRKXYNTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13-9-14(11-15(2,3)10-13)18-16(12-17-4)7-5-6-8-16/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine?
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine is sourced from PubChem (CID 55036865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).