N-(4-ethoxybutyl)cycloheptanamine

C13H27NO — CID 112730026

IUPACN-(4-ethoxybutyl)cycloheptanamine
SMILESCCOCCCCNC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-2-15-12-8-7-11-14-13-9-5-3-4-6-10-13/h13-14H,2-12H2,1H3
InChIKeyXKYDORHEBVRMLE-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.12
Rot. Bonds7

About N-(4-ethoxybutyl)cycloheptanamine

N-(4-ethoxybutyl)cycloheptanamine (PubChem CID 112730026) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(4-ethoxybutyl)cycloheptanamine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)cycloheptanamine
PubChem CID112730026
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(4-ethoxybutyl)cycloheptanamine
SMILESCCOCCCCNC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-2-15-12-8-7-11-14-13-9-5-3-4-6-10-13/h13-14H,2-12H2,1H3
InChIKeyXKYDORHEBVRMLE-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.12
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-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(5-ethoxypentyl)piperidin-4-amine
CID 164907072
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-dodecylcyclohexanamine
CID 3679395
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-cycloheptyl-N'-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 63690919
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
N-butylcyclohexanamine;molecular hydrogen
CID 143047743

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)cycloheptanamine?
The IUPAC name of N-(4-ethoxybutyl)cycloheptanamine (CID 112730026) is N-(4-ethoxybutyl)cycloheptanamine.
What is the SMILES notation for N-(4-ethoxybutyl)cycloheptanamine?
The canonical SMILES for N-(4-ethoxybutyl)cycloheptanamine is CCOCCCCNC1CCCCCC1.
What is the InChIKey of N-(4-ethoxybutyl)cycloheptanamine?
The InChIKey is XKYDORHEBVRMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-15-12-8-7-11-14-13-9-5-3-4-6-10-13/h13-14H,2-12H2,1H3.
What are the key properties of N-(4-ethoxybutyl)cycloheptanamine?
N-(4-ethoxybutyl)cycloheptanamine has a molecular weight of 213.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)cycloheptanamine is sourced from PubChem (CID 112730026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).