2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine

C17H34N2 — CID 65088885

IUPAC2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
SMILESCCCC1CCCC(N2CCCC(CCN)C2)CC1
InChIInChI=1S/C17H34N2/c1-2-5-15-6-3-8-17(10-9-15)19-13-4-7-16(14-19)11-12-18/h15-17H,2-14,18H2,1H3
InChIKeyBQPJITRGIPUIAM-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.80
Rot. Bonds5

About 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine

2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine (PubChem CID 65088885) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
PubChem CID65088885
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
SMILESCCCC1CCCC(N2CCCC(CCN)C2)CC1
InChIInChI=1S/C17H34N2/c1-2-5-15-6-3-8-17(10-9-15)19-13-4-7-16(14-19)11-12-18/h15-17H,2-14,18H2,1H3
InChIKeyBQPJITRGIPUIAM-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine (CID 65088885) is 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine is CCCC1CCCC(N2CCCC(CCN)C2)CC1.
What is the InChIKey of 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
The InChIKey is BQPJITRGIPUIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-2-5-15-6-3-8-17(10-9-15)19-13-4-7-16(14-19)11-12-18/h15-17H,2-14,18H2,1H3.
What are the key properties of 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine?
2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 65088885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).