2-[4-(2-aminoethyl)cycloheptyl]ethanamine

C11H24N2 — CID 69041735

IUPAC2-[4-(2-aminoethyl)cycloheptyl]ethanamine
SMILESNCCC1CCCC(CCN)CC1
InChIInChI=1S/C11H24N2/c12-8-6-10-2-1-3-11(5-4-10)7-9-13/h10-11H,1-9,12-13H2
InChIKeyYXNSSMVINWAGJJ-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-(2-aminoethyl)cycloheptyl]ethanamine

2-[4-(2-aminoethyl)cycloheptyl]ethanamine (PubChem CID 69041735) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)cycloheptyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)cycloheptyl]ethanamine
PubChem CID69041735
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-[4-(2-aminoethyl)cycloheptyl]ethanamine
SMILESNCCC1CCCC(CCN)CC1
InChIInChI=1S/C11H24N2/c12-8-6-10-2-1-3-11(5-4-10)7-9-13/h10-11H,1-9,12-13H2
InChIKeyYXNSSMVINWAGJJ-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)cycloheptyl]ethanamine?
The IUPAC name of 2-[4-(2-aminoethyl)cycloheptyl]ethanamine (CID 69041735) is 2-[4-(2-aminoethyl)cycloheptyl]ethanamine.
What is the SMILES notation for 2-[4-(2-aminoethyl)cycloheptyl]ethanamine?
The canonical SMILES for 2-[4-(2-aminoethyl)cycloheptyl]ethanamine is NCCC1CCCC(CCN)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)cycloheptyl]ethanamine?
The InChIKey is YXNSSMVINWAGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c12-8-6-10-2-1-3-11(5-4-10)7-9-13/h10-11H,1-9,12-13H2.
What are the key properties of 2-[4-(2-aminoethyl)cycloheptyl]ethanamine?
2-[4-(2-aminoethyl)cycloheptyl]ethanamine has a molecular weight of 184.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)cycloheptyl]ethanamine is sourced from PubChem (CID 69041735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).