5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane

C12H22N2 — CID 145152600

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane
SMILESC=C/C=C\C1=C(C)N(N)CCC1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-4-6-10-7-5-8-12(11)9(10)2;1-2/h3-4,6H,1,5,7-8,11H2,2H3;1-2H3/b6-4-;
InChIKeyKZANQYOBFJBKBW-YHSAGPEESA-N
MW194.32 g/mol
LogP3.00
Rot. Bonds2

About 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane

5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane (PubChem CID 145152600) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane
PubChem CID145152600
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane
SMILESC=C/C=C\C1=C(C)N(N)CCC1.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-4-6-10-7-5-8-12(11)9(10)2;1-2/h3-4,6H,1,5,7-8,11H2,2H3;1-2H3/b6-4-;
InChIKeyKZANQYOBFJBKBW-YHSAGPEESA-N
XLogP3.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(Z)-2,2-dimethylhex-4-en-3-ylidene]-3-fluoropiperidin-1-amine
CID 169604912
8-Methyl-7-azabicyclo[4.2.0]octa-1(6),4-dien-7-amine
CID 68248361
6-methyl-5-prop-2-enyl-2H-pyridin-1-amine
CID 70507575
2,3,4,10a-tetrahydro-1H-acridin-10-amine
CID 87629165
3,4,5,6-tetrahydro-2H-quinolin-1-amine
CID 88988157
(2E)-3-methylidene-2-(3-methylpentylidene)piperidin-1-amine
CID 89349405
(3Z)-2-methylidene-4-(4-methylpenta-1,3-dien-2-yl)-3-prop-2-enylidenepyrrol-1-amine
CID 89379521
6-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyridazine
CID 89468900
4-(1-amino-2H-pyridin-4-yl)-6-ethyl-2H-pyridin-1-amine
CID 118020749
1-(5-Methyl-3-methylideneocta-1,4-dien-2-yl)-1-propan-2-ylhydrazine
CID 123999242
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
CID 126712198
1-(3,4-dimethylpenta-1,4-dien-2-yl)-1-[(2E,4Z)-2-ethenylocta-2,4-dienyl]hydrazine
CID 130242725

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane (CID 145152600) is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane is C=C/C=C\C1=C(C)N(N)CCC1.CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane?
The InChIKey is KZANQYOBFJBKBW-YHSAGPEESA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-3-4-6-10-7-5-8-12(11)9(10)2;1-2/h3-4,6H,1,5,7-8,11H2,2H3;1-2H3/b6-4-;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane?
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane has a molecular weight of 194.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-3,4-dihydro-2H-pyridin-1-amine;ethane is sourced from PubChem (CID 145152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).