N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine

C17H34N2 — CID 79065603

IUPACN-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(NCC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C17H34N2/c1-5-8-10-13-16(18-7-3)17(4,6-2)19-14-11-9-12-15-19/h5,16,18H,1,6-15H2,2-4H3
InChIKeyKDBQINZAOKCFAH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.98
Rot. Bonds9

About N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine

N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine (PubChem CID 79065603) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine
PubChem CID79065603
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine
SMILESC=CCCCC(NCC)C(C)(CC)N1CCCCC1
InChIInChI=1S/C17H34N2/c1-5-8-10-13-16(18-7-3)17(4,6-2)19-14-11-9-12-15-19/h5,16,18H,1,6-15H2,2-4H3
InChIKeyKDBQINZAOKCFAH-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.98
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-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine?
The IUPAC name of N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine (CID 79065603) is N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine?
The canonical SMILES for N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine is C=CCCCC(NCC)C(C)(CC)N1CCCCC1.
What is the InChIKey of N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine?
The InChIKey is KDBQINZAOKCFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-8-10-13-16(18-7-3)17(4,6-2)19-14-11-9-12-15-19/h5,16,18H,1,6-15H2,2-4H3.
What are the key properties of N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine?
N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-piperidin-1-ylnon-8-en-4-amine is sourced from PubChem (CID 79065603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).