2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine

C17H34N2 — CID 65089032

IUPAC2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine
SMILESCC(C)C1CCCC(N2CCC(CCN)CC2)CC1
InChIInChI=1S/C17H34N2/c1-14(2)16-4-3-5-17(7-6-16)19-12-9-15(8-11-18)10-13-19/h14-17H,3-13,18H2,1-2H3
InChIKeyNWURFVWQINRKTN-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds4

About 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine

2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine (PubChem CID 65089032) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine
PubChem CID65089032
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine
SMILESCC(C)C1CCCC(N2CCC(CCN)CC2)CC1
InChIInChI=1S/C17H34N2/c1-14(2)16-4-3-5-17(7-6-16)19-12-9-15(8-11-18)10-13-19/h14-17H,3-13,18H2,1-2H3
InChIKeyNWURFVWQINRKTN-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine (CID 65089032) is 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine is CC(C)C1CCCC(N2CCC(CCN)CC2)CC1.
What is the InChIKey of 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine?
The InChIKey is NWURFVWQINRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-14(2)16-4-3-5-17(7-6-16)19-12-9-15(8-11-18)10-13-19/h14-17H,3-13,18H2,1-2H3.
What are the key properties of 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine?
2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylcycloheptyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 65089032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).