cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium

C12H19N2+ — CID 91302856

IUPACcyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium
SMILESC=[N+](C1CC1)C(C)C1=CC=C(C)CN1
InChIInChI=1S/C12H19N2/c1-9-4-7-12(13-8-9)10(2)14(3)11-5-6-11/h4,7,10-11,13H,3,5-6,8H2,1-2H3/q+1
InChIKeyPQGOFSBWLMXLIX-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.68
Rot. Bonds3

About cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium

cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium (PubChem CID 91302856) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium.

Molecular Properties

Compound Namecyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium
PubChem CID91302856
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Namecyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium
SMILESC=[N+](C1CC1)C(C)C1=CC=C(C)CN1
InChIInChI=1S/C12H19N2/c1-9-4-7-12(13-8-9)10(2)14(3)11-5-6-11/h4,7,10-11,13H,3,5-6,8H2,1-2H3/q+1
InChIKeyPQGOFSBWLMXLIX-UHFFFAOYSA-N
XLogP1.68
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-N-[(5E)-6-fluoro-2-[(Z)-prop-1-enyl]hepta-2,5-dienyl]-3-N-methyl-3-N-[(Z)-2-(methylideneamino)ethenyl]hepta-1,4,6-triene-2,3-diamine
CID 143346887
4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
CID 123978975
3-Methyl-1-(6-methylocta-3,5-dien-4-yl)piperazine
CID 124024835
N,N-dimethyl-1-(6-methyl-1,2-dihydropyridin-4-yl)methanamine
CID 126591320
2-Methyl-6-prop-1-en-2-yl-1,2-dihydropyridin-3-amine
CID 126621299
1-[(3Z)-3,5,6-trimethylhepta-1,3,5-trien-2-yl]piperazine
CID 131995784
(2E,4E)-6-methyl-3-N-propan-2-ylhepta-2,4,6-triene-3,4-diamine
CID 134239482
(2E,4Z)-1-N-[2-[ethyl(methyl)amino]ethyl]-2,6,6-trimethylhepta-2,4-diene-1,5-diamine
CID 134406773
N',N'-diethyl-N-[(3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 134424837
(6Z)-3-N-ethyl-3-N,7-dimethylnona-3,4,6-triene-2,3-diamine
CID 137427574
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
CID 137427614
(6-Ethyl-2-methyl-1,2-dihydropyridin-4-yl)methanamine
CID 138702782

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium?
The IUPAC name of cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium (CID 91302856) is cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium.
What is the SMILES notation for cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium?
The canonical SMILES for cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium is C=[N+](C1CC1)C(C)C1=CC=C(C)CN1.
What is the InChIKey of cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium?
The InChIKey is PQGOFSBWLMXLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2/c1-9-4-7-12(13-8-9)10(2)14(3)11-5-6-11/h4,7,10-11,13H,3,5-6,8H2,1-2H3/q+1.
What are the key properties of cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium?
cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium has a molecular weight of 191.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]-methylideneazanium is sourced from PubChem (CID 91302856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).