2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine

C14H29N3 — CID 62614630

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
SMILESCCN1CCN(CC2CCCCCC2N)CC1
InChIInChI=1S/C14H29N3/c1-2-16-8-10-17(11-9-16)12-13-6-4-3-5-7-14(13)15/h13-14H,2-12,15H2,1H3
InChIKeyPXYJPKMXQXTBBU-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine

2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine (PubChem CID 62614630) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
PubChem CID62614630
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine
SMILESCCN1CCN(CC2CCCCCC2N)CC1
InChIInChI=1S/C14H29N3/c1-2-16-8-10-17(11-9-16)12-13-6-4-3-5-7-14(13)15/h13-14H,2-12,15H2,1H3
InChIKeyPXYJPKMXQXTBBU-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine (CID 62614630) is 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine is CCN1CCN(CC2CCCCCC2N)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine?
The InChIKey is PXYJPKMXQXTBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-16-8-10-17(11-9-16)12-13-6-4-3-5-7-14(13)15/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine?
2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 62614630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).