3-methylidene-11-piperidin-1-ylundecan-4-imine

C17H32N2 — CID 178162918

IUPAC3-methylidene-11-piperidin-1-ylundecan-4-imine
SMILES[H]/N=C(/CCCCCCCN1CCCCC1)C(=C)CC
InChIInChI=1S/C17H32N2/c1-3-16(2)17(18)12-8-5-4-6-9-13-19-14-10-7-11-15-19/h18H,2-15H2,1H3/b18-17-
InChIKeyKCWAERMDAZQIGC-ZCXUNETKSA-N
MW264.46 g/mol
LogP4.80
Rot. Bonds10

About 3-methylidene-11-piperidin-1-ylundecan-4-imine

3-methylidene-11-piperidin-1-ylundecan-4-imine (PubChem CID 178162918) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 3-methylidene-11-piperidin-1-ylundecan-4-imine.

Molecular Properties

Compound Name3-methylidene-11-piperidin-1-ylundecan-4-imine
PubChem CID178162918
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name3-methylidene-11-piperidin-1-ylundecan-4-imine
SMILES[H]/N=C(/CCCCCCCN1CCCCC1)C(=C)CC
InChIInChI=1S/C17H32N2/c1-3-16(2)17(18)12-8-5-4-6-9-13-19-14-10-7-11-15-19/h18H,2-15H2,1H3/b18-17-
InChIKeyKCWAERMDAZQIGC-ZCXUNETKSA-N
XLogP4.80
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yloct-1-en-3-imine
CID 142437809
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-(6-piperidin-1-ylhexyl)piperidine bromide
CID 53351438
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
11-pyrrolidin-1-ylundecanamide
CID 175975624
acetic acid;1-nonylpiperidine
CID 175874764

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-11-piperidin-1-ylundecan-4-imine?
The IUPAC name of 3-methylidene-11-piperidin-1-ylundecan-4-imine (CID 178162918) is 3-methylidene-11-piperidin-1-ylundecan-4-imine.
What is the SMILES notation for 3-methylidene-11-piperidin-1-ylundecan-4-imine?
The canonical SMILES for 3-methylidene-11-piperidin-1-ylundecan-4-imine is [H]/N=C(/CCCCCCCN1CCCCC1)C(=C)CC.
What is the InChIKey of 3-methylidene-11-piperidin-1-ylundecan-4-imine?
The InChIKey is KCWAERMDAZQIGC-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H32N2/c1-3-16(2)17(18)12-8-5-4-6-9-13-19-14-10-7-11-15-19/h18H,2-15H2,1H3/b18-17-.
What are the key properties of 3-methylidene-11-piperidin-1-ylundecan-4-imine?
3-methylidene-11-piperidin-1-ylundecan-4-imine has a molecular weight of 264.46 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-11-piperidin-1-ylundecan-4-imine is sourced from PubChem (CID 178162918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).