N-[(1-methoxycyclohexyl)methyl]ethanamine

C10H21NO — CID 62106573

IUPACN-[(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNCC1(OC)CCCCC1
InChIInChI=1S/C10H21NO/c1-3-11-9-10(12-2)7-5-4-6-8-10/h11H,3-9H2,1-2H3
InChIKeyKGKVMYAVTBVMSZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds4

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

N-[(1-methoxycyclohexyl)methyl]ethanamine (PubChem CID 62106573) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(1-methoxycyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclohexyl)methyl]ethanamine
PubChem CID62106573
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(1-methoxycyclohexyl)methyl]ethanamine
SMILESCCNCC1(OC)CCCCC1
InChIInChI=1S/C10H21NO/c1-3-11-9-10(12-2)7-5-4-6-8-10/h11H,3-9H2,1-2H3
InChIKeyKGKVMYAVTBVMSZ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclohexyl)methyl]ethanamine (CID 62106573) is N-[(1-methoxycyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclohexyl)methyl]ethanamine is CCNCC1(OC)CCCCC1.
What is the InChIKey of N-[(1-methoxycyclohexyl)methyl]ethanamine?
The InChIKey is KGKVMYAVTBVMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-11-9-10(12-2)7-5-4-6-8-10/h11H,3-9H2,1-2H3.
What are the key properties of N-[(1-methoxycyclohexyl)methyl]ethanamine?
N-[(1-methoxycyclohexyl)methyl]ethanamine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclohexyl)methyl]ethanamine is sourced from PubChem (CID 62106573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).