N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine

C18H35NO — CID 63475700

IUPACN-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine
SMILESCNCC1(OC2CC(C)CCC2C(C)C)CCCCC1
InChIInChI=1S/C18H35NO/c1-14(2)16-9-8-15(3)12-17(16)20-18(13-19-4)10-6-5-7-11-18/h14-17,19H,5-13H2,1-4H3
InChIKeyOSKBEEPCLNCCOK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds5

About N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine

N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine (PubChem CID 63475700) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine
PubChem CID63475700
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine
SMILESCNCC1(OC2CC(C)CCC2C(C)C)CCCCC1
InChIInChI=1S/C18H35NO/c1-14(2)16-9-8-15(3)12-17(16)20-18(13-19-4)10-6-5-7-11-18/h14-17,19H,5-13H2,1-4H3
InChIKeyOSKBEEPCLNCCOK-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
CID 114248811
1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
CID 55036865
N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine
CID 165490215
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine (CID 63475700) is N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine is CNCC1(OC2CC(C)CCC2C(C)C)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine?
The InChIKey is OSKBEEPCLNCCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14(2)16-9-8-15(3)12-17(16)20-18(13-19-4)10-6-5-7-11-18/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine?
N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine is sourced from PubChem (CID 63475700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).