N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine

C16H31NO — CID 60960704

IUPACN-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
SMILESCC1CCCCC1OCCNC1CCCCCC1
InChIInChI=1S/C16H31NO/c1-14-8-6-7-11-16(14)18-13-12-17-15-9-4-2-3-5-10-15/h14-17H,2-13H2,1H3
InChIKeyZJFJTXXLYDTSMB-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine

N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine (PubChem CID 60960704) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
PubChem CID60960704
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
SMILESCC1CCCCC1OCCNC1CCCCCC1
InChIInChI=1S/C16H31NO/c1-14-8-6-7-11-16(14)18-13-12-17-15-9-4-2-3-5-10-15/h14-17H,2-13H2,1H3
InChIKeyZJFJTXXLYDTSMB-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 60976387
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-methyl-3-(2-methylcyclohexyl)oxypropan-1-amine
CID 62444338
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
3,3-dimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]butan-1-amine
CID 62567076
1-(3-chloropropoxy)-2-methylcyclohexane
CID 24689088
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 115464536
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657662

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine?
The IUPAC name of N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine (CID 60960704) is N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine is CC1CCCCC1OCCNC1CCCCCC1.
What is the InChIKey of N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine?
The InChIKey is ZJFJTXXLYDTSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14-8-6-7-11-16(14)18-13-12-17-15-9-4-2-3-5-10-15/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine?
N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine is sourced from PubChem (CID 60960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).