1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine

C16H31NO — CID 114248811

IUPAC1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(OCC2CCCCCC2)CCCCC1
InChIInChI=1S/C16H31NO/c1-17-14-16(11-7-4-8-12-16)18-13-15-9-5-2-3-6-10-15/h15,17H,2-14H2,1H3
InChIKeyUFJBGKQKIXWEQV-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.90
Rot. Bonds5

About 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine

1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine (PubChem CID 114248811) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
PubChem CID114248811
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(OCC2CCCCCC2)CCCCC1
InChIInChI=1S/C16H31NO/c1-17-14-16(11-7-4-8-12-16)18-13-15-9-5-2-3-6-10-15/h15,17H,2-14H2,1H3
InChIKeyUFJBGKQKIXWEQV-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopentylmethoxy)cycloheptyl]-N-methylmethanamine
CID 66322900
N-[[1-(cyclopropylmethoxy)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 62108400
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213
N-[[1-(cyclohexylmethoxy)-4-methylcyclohexyl]methyl]propan-1-amine
CID 63474851
2-[1-(cyclohexylmethoxy)cyclobutyl]ethanamine
CID 103273986
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698
N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
CID 63474493
N-[[1-(cyclopentylmethoxy)-4-ethylcyclohexyl]methyl]propan-1-amine
CID 66322045
N-[[1-(cyclopentylmethoxy)-4-propylcyclohexyl]methyl]propan-1-amine
CID 66322903

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine (CID 114248811) is 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine is CNCC1(OCC2CCCCCC2)CCCCC1.
What is the InChIKey of 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine?
The InChIKey is UFJBGKQKIXWEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-17-14-16(11-7-4-8-12-16)18-13-15-9-5-2-3-6-10-15/h15,17H,2-14H2,1H3.
What are the key properties of 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine?
1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cycloheptylmethoxy)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114248811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).