N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine

C9H16N2 — CID 142498413

IUPACN-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine
SMILESC=C/C=N/C(=C)C(C)NCC
InChIInChI=1S/C9H16N2/c1-5-7-11-9(4)8(3)10-6-2/h5,7-8,10H,1,4,6H2,2-3H3/b11-7+
InChIKeyKTBVSQOGWLECNS-YRNVUSSQSA-N
MW152.24 g/mol
LogP1.75
Rot. Bonds5

About N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine

N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine (PubChem CID 142498413) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine
PubChem CID142498413
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine
SMILESC=C/C=N/C(=C)C(C)NCC
InChIInChI=1S/C9H16N2/c1-5-7-11-9(4)8(3)10-6-2/h5,7-8,10H,1,4,6H2,2-3H3/b11-7+
InChIKeyKTBVSQOGWLECNS-YRNVUSSQSA-N
XLogP1.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 59529658
(2S,12S,15Z)-2,12-dimethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529660
(Z)-3-[3-(4-methylpiperazin-1-yl)but-1-en-2-ylimino]prop-1-en-1-amine
CID 68396661
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
(Z)-2-N-methyl-5-methyliminopent-3-ene-2,3-diamine
CID 89186150
(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695562
(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695578
(1Z)-1-(ethylideneamino)-N-methylpenta-1,4-dien-3-amine
CID 126700436
(3Z)-5-but-1-en-2-ylimino-N-methylpenta-1,3-dien-2-amine
CID 132149256
N-(3-iminoprop-1-en-2-yl)but-3-en-2-amine
CID 135211783
5-(ethylideneamino)-N-prop-1-en-2-ylhexa-1,5-dien-3-amine
CID 137427561

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine?
The IUPAC name of N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine (CID 142498413) is N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine?
The canonical SMILES for N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine is C=C/C=N/C(=C)C(C)NCC.
What is the InChIKey of N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine?
The InChIKey is KTBVSQOGWLECNS-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7-11-9(4)8(3)10-6-2/h5,7-8,10H,1,4,6H2,2-3H3/b11-7+.
What are the key properties of N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine?
N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(prop-2-enylideneamino)but-3-en-2-amine is sourced from PubChem (CID 142498413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).