N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine

C16H31NO — CID 62107352

IUPACN-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine
SMILESCCNCC1(OC2CCCCC2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-2-17-14-16(12-8-3-4-9-13-16)18-15-10-6-5-7-11-15/h15,17H,2-14H2,1H3
InChIKeyGLBICMQKKRVUKT-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.04
Rot. Bonds5

About N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine

N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine (PubChem CID 62107352) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine
PubChem CID62107352
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine
SMILESCCNCC1(OC2CCCCC2)CCCCCC1
InChIInChI=1S/C16H31NO/c1-2-17-14-16(12-8-3-4-9-13-16)18-15-10-6-5-7-11-15/h15,17H,2-14H2,1H3
InChIKeyGLBICMQKKRVUKT-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine?
The IUPAC name of N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine (CID 62107352) is N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine?
The canonical SMILES for N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine is CCNCC1(OC2CCCCC2)CCCCCC1.
What is the InChIKey of N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine?
The InChIKey is GLBICMQKKRVUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-17-14-16(12-8-3-4-9-13-16)18-15-10-6-5-7-11-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine?
N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyloxycycloheptyl)methyl]ethanamine is sourced from PubChem (CID 62107352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).