N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine

C16H31NO — CID 62107213

IUPACN-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
SMILESCNCC1(OC2CCC(C)CC2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-14-7-9-15(10-8-14)18-16(13-17-2)11-5-3-4-6-12-16/h14-15,17H,3-13H2,1-2H3
InChIKeyNRGFCNNYLRBVGE-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds4

About N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine

N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine (PubChem CID 62107213) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
PubChem CID62107213
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
SMILESCNCC1(OC2CCC(C)CC2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-14-7-9-15(10-8-14)18-16(13-17-2)11-5-3-4-6-12-16/h14-15,17H,3-13H2,1-2H3
InChIKeyNRGFCNNYLRBVGE-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043
N-[[1-(4-methylcyclohexyl)oxycyclopentyl]methyl]propan-1-amine
CID 62106143
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
N-methyl-1-[1-(3,3,5-trimethylcyclohexyl)oxycyclopentyl]methanamine
CID 55036865
N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine
CID 63475700
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
CID 63559290
N-[(1-cycloheptyloxycycloheptyl)methyl]propan-2-amine
CID 63473769
N-[(1-cyclohexyloxycyclopentyl)methyl]ethanamine
CID 62108064
1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 62108000
1-(bromomethyl)-3-methyl-1-(4-methylcyclohexyl)oxycyclohexane
CID 63470076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine (CID 62107213) is N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine is CNCC1(OC2CCC(C)CC2)CCCCCC1.
What is the InChIKey of N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
The InChIKey is NRGFCNNYLRBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14-7-9-15(10-8-14)18-16(13-17-2)11-5-3-4-6-12-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine?
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 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-(4-methylcyclohexyl)oxycycloheptyl]methanamine is sourced from PubChem (CID 62107213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).