(E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine

C11H18N2 — CID 178037074

IUPAC(E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine
SMILESC/N=C(C)/C=C(\C)C1=CCCNC1
InChIInChI=1S/C11H18N2/c1-9(7-10(2)12-3)11-5-4-6-13-8-11/h5,7,13H,4,6,8H2,1-3H3/b9-7+,12-10+
InChIKeyDGHUMMIBIBRDJT-LKJUMTHSSA-N
MW178.28 g/mol
LogP1.94
Rot. Bonds2

About (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine

(E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine (PubChem CID 178037074) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine
PubChem CID178037074
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine
SMILESC/N=C(C)/C=C(\C)C1=CCCNC1
InChIInChI=1S/C11H18N2/c1-9(7-10(2)12-3)11-5-4-6-13-8-11/h5,7,13H,4,6,8H2,1-3H3/b9-7+,12-10+
InChIKeyDGHUMMIBIBRDJT-LKJUMTHSSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-diazocyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 54216626
N-[(4-diazocyclohexa-1,5-dien-1-yl)methyl]propan-1-amine
CID 54402766
1-N'-(cyclohexa-1,5-dien-1-ylmethyl)-3-iminobutane-1,1-diamine
CID 88218305
2,6,7,8-Tetrahydro-1,7-naphthyridine
CID 90958965
(3Z)-N-ethyl-5-methyl-3-[1-(propan-2-ylideneamino)ethenyl]hexa-3,5-dien-1-amine
CID 91426030
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319
3,4,5,6-tetrahydro-2H-1,5-benzodiazonine
CID 123253321
(2E,4Z)-6-imino-2-methyl-N,N'-dipropylhepta-2,4-diene-1,7-diamine
CID 124112563
N-[(5,7-dimethyl-1-azacyclohepta-1,3,4,6-tetraen-2-yl)methyl]ethanamine
CID 129045664
N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
CID 129255826
N-[2-(5-methyl-2H-pyrrol-3-yl)ethyl]heptan-4-amine
CID 130217424
N-ethyl-4-methyl-2-propan-2-yliminopent-3-en-1-amine
CID 130433850

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine?
The IUPAC name of (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine (CID 178037074) is (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine.
What is the SMILES notation for (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine?
The canonical SMILES for (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine is C/N=C(C)/C=C(\C)C1=CCCNC1.
What is the InChIKey of (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine?
The InChIKey is DGHUMMIBIBRDJT-LKJUMTHSSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(7-10(2)12-3)11-5-4-6-13-8-11/h5,7,13H,4,6,8H2,1-3H3/b9-7+,12-10+.
What are the key properties of (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine?
(E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine has a molecular weight of 178.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(1,2,3,6-tetrahydropyridin-5-yl)pent-3-en-2-imine is sourced from PubChem (CID 178037074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).