N-(cycloheptylmethyl)-N-ethylazetidin-3-amine

C13H26N2 — CID 66181850

IUPACN-(cycloheptylmethyl)-N-ethylazetidin-3-amine
SMILESCCN(CC1CCCCCC1)C1CNC1
InChIInChI=1S/C13H26N2/c1-2-15(13-9-14-10-13)11-12-7-5-3-4-6-8-12/h12-14H,2-11H2,1H3
InChIKeyLVURDPUTPWUODN-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds4

About N-(cycloheptylmethyl)-N-ethylazetidin-3-amine

N-(cycloheptylmethyl)-N-ethylazetidin-3-amine (PubChem CID 66181850) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-N-ethylazetidin-3-amine
PubChem CID66181850
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(cycloheptylmethyl)-N-ethylazetidin-3-amine
SMILESCCN(CC1CCCCCC1)C1CNC1
InChIInChI=1S/C13H26N2/c1-2-15(13-9-14-10-13)11-12-7-5-3-4-6-8-12/h12-14H,2-11H2,1H3
InChIKeyLVURDPUTPWUODN-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-N-ethylazetidin-3-amine?
The IUPAC name of N-(cycloheptylmethyl)-N-ethylazetidin-3-amine (CID 66181850) is N-(cycloheptylmethyl)-N-ethylazetidin-3-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-N-ethylazetidin-3-amine?
The canonical SMILES for N-(cycloheptylmethyl)-N-ethylazetidin-3-amine is CCN(CC1CCCCCC1)C1CNC1.
What is the InChIKey of N-(cycloheptylmethyl)-N-ethylazetidin-3-amine?
The InChIKey is LVURDPUTPWUODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-15(13-9-14-10-13)11-12-7-5-3-4-6-8-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(cycloheptylmethyl)-N-ethylazetidin-3-amine?
N-(cycloheptylmethyl)-N-ethylazetidin-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-N-ethylazetidin-3-amine is sourced from PubChem (CID 66181850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).