1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine

C14H28N4 — CID 142289237

IUPAC1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine
SMILESCC.CNCC1=CC=CCN1.[H]/N=C(C)/C=C\CN
InChIInChI=1S/C7H12N2.C5H10N2.C2H6/c1-8-6-7-4-2-3-5-9-7;1-5(7)3-2-4-6;1-2/h2-4,8-9H,5-6H2,1H3;2-3,7H,4,6H2,1H3;1-2H3/b;3-2-,7-5+;
InChIKeyJWMNNJIJUMFMPF-LCMALVRUSA-N
MW252.41 g/mol
LogP1.82
Rot. Bonds4

About 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine

1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine (PubChem CID 142289237) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine
PubChem CID142289237
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine
SMILESCC.CNCC1=CC=CCN1.[H]/N=C(C)/C=C\CN
InChIInChI=1S/C7H12N2.C5H10N2.C2H6/c1-8-6-7-4-2-3-5-9-7;1-5(7)3-2-4-6;1-2/h2-4,8-9H,5-6H2,1H3;2-3,7H,4,6H2,1H3;1-2H3/b;3-2-,7-5+;
InChIKeyJWMNNJIJUMFMPF-LCMALVRUSA-N
XLogP1.82
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine?
The IUPAC name of 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine (CID 142289237) is 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine.
What is the SMILES notation for 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine?
The canonical SMILES for 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine is CC.CNCC1=CC=CCN1.[H]/N=C(C)/C=C\CN.
What is the InChIKey of 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine?
The InChIKey is JWMNNJIJUMFMPF-LCMALVRUSA-N. The full InChI is InChI=1S/C7H12N2.C5H10N2.C2H6/c1-8-6-7-4-2-3-5-9-7;1-5(7)3-2-4-6;1-2/h2-4,8-9H,5-6H2,1H3;2-3,7H,4,6H2,1H3;1-2H3/b;3-2-,7-5+;.
What are the key properties of 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine?
1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine has a molecular weight of 252.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-6-yl)-N-methylmethanamine;ethane;(Z)-4-iminopent-2-en-1-amine is sourced from PubChem (CID 142289237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).