N-(2-methoxyethyl)cycloheptanamine

C10H21NO — CID 22484521

IUPACN-(2-methoxyethyl)cycloheptanamine
SMILESCOCCNC1CCCCCC1
InChIInChI=1S/C10H21NO/c1-12-9-8-11-10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyPBBBLFGDZLEXBK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methoxyethyl)cycloheptanamine

N-(2-methoxyethyl)cycloheptanamine (PubChem CID 22484521) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)cycloheptanamine
PubChem CID22484521
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-methoxyethyl)cycloheptanamine
SMILESCOCCNC1CCCCCC1
InChIInChI=1S/C10H21NO/c1-12-9-8-11-10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3
InChIKeyPBBBLFGDZLEXBK-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

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
CID 60960704
N-(3-chloro-4-methoxybutyl)cyclopentanamine
CID 106242445

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)cycloheptanamine?
The IUPAC name of N-(2-methoxyethyl)cycloheptanamine (CID 22484521) is N-(2-methoxyethyl)cycloheptanamine.
What is the SMILES notation for N-(2-methoxyethyl)cycloheptanamine?
The canonical SMILES for N-(2-methoxyethyl)cycloheptanamine is COCCNC1CCCCCC1.
What is the InChIKey of N-(2-methoxyethyl)cycloheptanamine?
The InChIKey is PBBBLFGDZLEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-12-9-8-11-10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)cycloheptanamine?
N-(2-methoxyethyl)cycloheptanamine 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-(2-methoxyethyl)cycloheptanamine is sourced from PubChem (CID 22484521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).