N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine

C14H26N2 — CID 114620809

IUPACN-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C14H26N2/c1-2-15-11-13-7-6-10-16(12-13)14-8-4-3-5-9-14/h4,8,13-15H,2-3,5-7,9-12H2,1H3
InChIKeyDABZOOBNPUTHOG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.42
Rot. Bonds4

About N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine

N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine (PubChem CID 114620809) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine
PubChem CID114620809
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine
SMILESCCNCC1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C14H26N2/c1-2-15-11-13-7-6-10-16(12-13)14-8-4-3-5-9-14/h4,8,13-15H,2-3,5-7,9-12H2,1H3
InChIKeyDABZOOBNPUTHOG-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine (CID 114620809) is N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine is CCNCC1CCCN(C2C=CCCC2)C1.
What is the InChIKey of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is DABZOOBNPUTHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-15-11-13-7-6-10-16(12-13)14-8-4-3-5-9-14/h4,8,13-15H,2-3,5-7,9-12H2,1H3.
What are the key properties of N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine?
N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 222.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohex-2-en-1-ylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 114620809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).