1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine

C15H28N2 — CID 139917011

IUPAC1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine
SMILESNC1CCN(C/C2=C/CCCCCCC2)CC1
InChIInChI=1S/C15H28N2/c16-15-9-11-17(12-10-15)13-14-7-5-3-1-2-4-6-8-14/h7,15H,1-6,8-13,16H2/b14-7+
InChIKeyGJCBLNIBIKDRLN-VGOFMYFVSA-N
MW236.40 g/mol
LogP3.08
Rot. Bonds2

About 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine

1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine (PubChem CID 139917011) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine
PubChem CID139917011
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine
SMILESNC1CCN(C/C2=C/CCCCCCC2)CC1
InChIInChI=1S/C15H28N2/c16-15-9-11-17(12-10-15)13-14-7-5-3-1-2-4-6-8-14/h7,15H,1-6,8-13,16H2/b14-7+
InChIKeyGJCBLNIBIKDRLN-VGOFMYFVSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.08
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 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine (CID 139917011) is 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine is NC1CCN(C/C2=C/CCCCCCC2)CC1.
What is the InChIKey of 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine?
The InChIKey is GJCBLNIBIKDRLN-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H28N2/c16-15-9-11-17(12-10-15)13-14-7-5-3-1-2-4-6-8-14/h7,15H,1-6,8-13,16H2/b14-7+.
What are the key properties of 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine?
1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine has a molecular weight of 236.40 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 139917011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).