ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium

C12H25N2+ — CID 123212275

IUPACethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
SMILESCCC=C(C)N/C(CCC)=[N+](\C)CC
InChIInChI=1S/C12H24N2/c1-6-9-11(4)13-12(10-7-2)14(5)8-3/h9H,6-8,10H2,1-5H3/p+1
InChIKeyIVPAYOYFNAIPQB-UHFFFAOYSA-O
MW197.35 g/mol
LogP2.75
Rot. Bonds5

About ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium

ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium (PubChem CID 123212275) has the molecular formula C12H25N2+ and a molecular weight of 197.35 g/mol. Its IUPAC name is ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium.

Molecular Properties

Compound Nameethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
PubChem CID123212275
Molecular FormulaC12H25N2+
Molecular Weight197.35 g/mol
Exact Mass197.20
IUPAC Nameethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
SMILESCCC=C(C)N/C(CCC)=[N+](\C)CC
InChIInChI=1S/C12H24N2/c1-6-9-11(4)13-12(10-7-2)14(5)8-3/h9H,6-8,10H2,1-5H3/p+1
InChIKeyIVPAYOYFNAIPQB-UHFFFAOYSA-O
XLogP2.75
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340216
2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 21340217
2-[2-(1,2,3,4-Tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
CID 22886471
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
7-(5-methyl-2-methylimino-3H-pyrrol-1-yl)heptan-1-amine
CID 71215593
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887
N,5-dimethyl-1,3-dihydropyrrol-2-imine
CID 136037612
N,6-dimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137043003
(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine
CID 137059244
2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine
CID 137090868

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium?
The IUPAC name of ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium (CID 123212275) is ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium.
What is the SMILES notation for ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium?
The canonical SMILES for ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium is CCC=C(C)N/C(CCC)=[N+](\C)CC.
What is the InChIKey of ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium?
The InChIKey is IVPAYOYFNAIPQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2/c1-6-9-11(4)13-12(10-7-2)14(5)8-3/h9H,6-8,10H2,1-5H3/p+1.
What are the key properties of ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium?
ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium has a molecular weight of 197.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium is sourced from PubChem (CID 123212275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).