[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine

C14H29N3 — CID 24705250

IUPAC[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
SMILESCCN1CCN(C2(CN)CCCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-2-16-9-11-17(12-10-16)14(13-15)7-5-3-4-6-8-14/h2-13,15H2,1H3
InChIKeySRLFEFCLXYCRHY-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.68
Rot. Bonds3

About [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine

[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine (PubChem CID 24705250) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
PubChem CID24705250
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
SMILESCCN1CCN(C2(CN)CCCCCC2)CC1
InChIInChI=1S/C14H29N3/c1-2-16-9-11-17(12-10-16)14(13-15)7-5-3-4-6-8-14/h2-13,15H2,1H3
InChIKeySRLFEFCLXYCRHY-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine?
The IUPAC name of [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine (CID 24705250) is [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine is CCN1CCN(C2(CN)CCCCCC2)CC1.
What is the InChIKey of [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine?
The InChIKey is SRLFEFCLXYCRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-16-9-11-17(12-10-16)14(13-15)7-5-3-4-6-8-14/h2-13,15H2,1H3.
What are the key properties of [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine?
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 24705250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).