(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine

C15H32N2 — CID 143171835

IUPAC(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
SMILESC.C/C=C/C(C)C/C=N/C.CN1CCCCC1
InChIInChI=1S/C8H15N.C6H13N.CH4/c1-4-5-8(2)6-7-9-3;1-7-5-3-2-4-6-7;/h4-5,7-8H,6H2,1-3H3;2-6H2,1H3;1H4/b5-4+,9-7+;;
InChIKeyBTSNCSSTNOVMKQ-QBKCMBCUSA-N
MW240.44 g/mol
LogP4.03
Rot. Bonds3

About (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine

(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine (PubChem CID 143171835) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine.

Molecular Properties

Compound Name(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
PubChem CID143171835
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
SMILESC.C/C=C/C(C)C/C=N/C.CN1CCCCC1
InChIInChI=1S/C8H15N.C6H13N.CH4/c1-4-5-8(2)6-7-9-3;1-7-5-3-2-4-6-7;/h4-5,7-8H,6H2,1-3H3;2-6H2,1H3;1H4/b5-4+,9-7+;;
InChIKeyBTSNCSSTNOVMKQ-QBKCMBCUSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine with MolForge

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Related Compounds

N-[(1Z)-buta-1,3-dienyl]-2-methyl-3-(1-methylpiperidin-4-ylidene)propan-1-imine
CID 89366339
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
4-(1-methylpiperidin-4-ylidene)-N-[(Z)-prop-1-enyl]butan-1-imine
CID 143046625
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
ethane;N-methylethanimine;1-methyl-4-[(2Z,4Z)-3-methyl-6-methylideneocta-2,4,7-trien-4-yl]piperidine
CID 162360969
1-[(E)-hex-2-enylidene]piperidin-1-ium
CID 101234498
(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886823
(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
CID 169103840

Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine?
The IUPAC name of (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine (CID 143171835) is (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine.
What is the SMILES notation for (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine?
The canonical SMILES for (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine is C.C/C=C/C(C)C/C=N/C.CN1CCCCC1.
What is the InChIKey of (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine?
The InChIKey is BTSNCSSTNOVMKQ-QBKCMBCUSA-N. The full InChI is InChI=1S/C8H15N.C6H13N.CH4/c1-4-5-8(2)6-7-9-3;1-7-5-3-2-4-6-7;/h4-5,7-8H,6H2,1-3H3;2-6H2,1H3;1H4/b5-4+,9-7+;;.
What are the key properties of (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine?
(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine has a molecular weight of 240.44 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine is sourced from PubChem (CID 143171835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).