1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium

C8H17N2+ — CID 163978271

IUPAC1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C(\C)NCC
InChIInChI=1S/C8H16N2/c1-6-9-8(4)10(5)7(2)3/h2,6H2,1,3-5H3/p+1
InChIKeySWBVDUCKPOABLS-UHFFFAOYSA-O
MW141.24 g/mol
LogP1.19
Rot. Bonds2

About 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium

1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium (PubChem CID 163978271) has the molecular formula C8H17N2+ and a molecular weight of 141.24 g/mol. Its IUPAC name is 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium.

Molecular Properties

Compound Name1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium
PubChem CID163978271
Molecular FormulaC8H17N2+
Molecular Weight141.24 g/mol
Exact Mass141.14
IUPAC Name1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C(\C)NCC
InChIInChI=1S/C8H16N2/c1-6-9-8(4)10(5)7(2)3/h2,6H2,1,3-5H3/p+1
InChIKeySWBVDUCKPOABLS-UHFFFAOYSA-O
XLogP1.19
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.19
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

2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
N-[(E)-but-2-en-2-yl]-N'-propan-2-ylethanimidamide
CID 91170890
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]ethanimidamide
CID 123307868
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
N'-(methylaminomethyl)-N-prop-1-en-2-ylethanimidamide
CID 123372608
N-methyl-1-prop-1-en-2-ylpiperazin-2-imine
CID 123565634
N'-ethyl-N-prop-1-en-2-ylethanimidamide
CID 123768299

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium?
The IUPAC name of 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium (CID 163978271) is 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium.
What is the SMILES notation for 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium?
The canonical SMILES for 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium is C=C(C)/[N+](C)=C(\C)NCC.
What is the InChIKey of 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium?
The InChIKey is SWBVDUCKPOABLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2/c1-6-9-8(4)10(5)7(2)3/h2,6H2,1,3-5H3/p+1.
What are the key properties of 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium?
1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium has a molecular weight of 141.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium is sourced from PubChem (CID 163978271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).