(Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine

C11H17N3 — CID 123759356

IUPAC(Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine
SMILES[H]/N=C(/C=C\C(C)CN)C1=CCCC=N1
InChIInChI=1S/C11H17N3/c1-9(8-12)5-6-10(13)11-4-2-3-7-14-11/h4-7,9,13H,2-3,8,12H2,1H3/b6-5-,13-10-
InChIKeyIFYUPSODUKNCPR-MUIHLJEFSA-N
MW191.28 g/mol
LogP1.91
Rot. Bonds4

About (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine

(Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine (PubChem CID 123759356) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine
PubChem CID123759356
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine
SMILES[H]/N=C(/C=C\C(C)CN)C1=CCCC=N1
InChIInChI=1S/C11H17N3/c1-9(8-12)5-6-10(13)11-4-2-3-7-14-11/h4-7,9,13H,2-3,8,12H2,1H3/b6-5-,13-10-
InChIKeyIFYUPSODUKNCPR-MUIHLJEFSA-N
XLogP1.91
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
1-(3-Methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 91119270
N-methyl-2-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
CID 91433495
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanimine
CID 91543347
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
CID 123534726
(Z)-2-[[(Z)-2-methylhex-4-en-3-ylidene]amino]ethenamine
CID 126570380
3-[[(Z)-but-2-enylidene]amino]-6-methylcyclohexa-1,3-dien-1-amine
CID 129060085
(Z)-3-[(Z)-4-methylpent-2-en-3-yl]iminoprop-1-en-1-amine
CID 129212088
(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine
CID 130246979
(Z)-3,3-dimethyl-2-[[(Z)-2-methylhex-4-en-3-ylidene]amino]but-1-en-1-amine
CID 130290774

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine?
The IUPAC name of (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine (CID 123759356) is (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine is [H]/N=C(/C=C\C(C)CN)C1=CCCC=N1.
What is the InChIKey of (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine?
The InChIKey is IFYUPSODUKNCPR-MUIHLJEFSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(8-12)5-6-10(13)11-4-2-3-7-14-11/h4-7,9,13H,2-3,8,12H2,1H3/b6-5-,13-10-.
What are the key properties of (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine?
(Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(3,4-dihydropyridin-6-yl)-5-imino-2-methylpent-3-en-1-amine is sourced from PubChem (CID 123759356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).