N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine

C16H32N2 — CID 79064777

IUPACN,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(NC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H32N2/c1-5-7-9-12-15(17-4)16(3,6-2)18-13-10-8-11-14-18/h5,15,17H,1,6-14H2,2-4H3
InChIKeyPKNORGDJRYMEQK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.59
Rot. Bonds8

About N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine

N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine (PubChem CID 79064777) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine
PubChem CID79064777
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(NC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C16H32N2/c1-5-7-9-12-15(17-4)16(3,6-2)18-13-10-8-11-14-18/h5,15,17H,1,6-14H2,2-4H3
InChIKeyPKNORGDJRYMEQK-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine?
The IUPAC name of N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine (CID 79064777) is N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine.
What is the SMILES notation for N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine?
The canonical SMILES for N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine is C=CCCCC(NC)C(C)(CC)N1CCCCC1.
What is the InChIKey of N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine?
The InChIKey is PKNORGDJRYMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-7-9-12-15(17-4)16(3,6-2)18-13-10-8-11-14-18/h5,15,17H,1,6-14H2,2-4H3.
What are the key properties of N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine?
N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-3-piperidin-1-ylnon-8-en-4-amine is sourced from PubChem (CID 79064777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).