2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine

C9H18N4 — CID 163900004

IUPAC2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine
SMILESC=C/N=C(\N=C)N(CC)CCNC
InChIInChI=1S/C9H18N4/c1-5-12-9(11-4)13(6-2)8-7-10-3/h5,10H,1,4,6-8H2,2-3H3/b12-9+
InChIKeyQIZCQMPNXSZSNU-FMIVXFBMSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds5

About 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine

2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine (PubChem CID 163900004) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine.

Molecular Properties

Compound Name2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine
PubChem CID163900004
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine
SMILESC=C/N=C(\N=C)N(CC)CCNC
InChIInChI=1S/C9H18N4/c1-5-12-9(11-4)13(6-2)8-7-10-3/h5,10H,1,4,6-8H2,2-3H3/b12-9+
InChIKeyQIZCQMPNXSZSNU-FMIVXFBMSA-N
XLogP0.73
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-N-methyl-N'-(2-methylpent-2-en-3-yl)ethane-1,2-diamine
CID 143446025
2-amino-N-ethyl-N-[2-(methylamino)ethyl]acetamide
CID 145342437
N'-ethyl-N'-[(3Z)-hepta-1,3-dien-5-yn-2-yl]-N-methylethane-1,2-diamine
CID 143497536
N-ethyl-1-methyl-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 143843399
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)acetamide
CID 118974935
N-[2-(methylamino)ethyl]-N-(2-oxoethyl)ethanimidamide
CID 144726995
N'-buta-1,3-dien-2-yl-N'-[2-[buta-1,3-dien-2-yl-[2-(buta-1,3-dien-2-ylamino)ethyl]amino]ethyl]-N-methylethane-1,2-diamine
CID 134546814
N-methylpropan-1-amine;3-methyl-N-propylhepta-1,6-dien-2-amine
CID 156713243
disodium;ethane;N-ethyl-N-[3-(methylamino)propyl]carbamodithioate;methanedithioate;prop-1-ene
CID 144895768
N-ethenyl-2-[methyl-[2-(methylamino)ethyl]amino]-N'-propylethanimidamide
CID 118970815

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine?
The IUPAC name of 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine (CID 163900004) is 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine.
What is the SMILES notation for 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine?
The canonical SMILES for 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine is C=C/N=C(\N=C)N(CC)CCNC.
What is the InChIKey of 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine?
The InChIKey is QIZCQMPNXSZSNU-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H18N4/c1-5-12-9(11-4)13(6-2)8-7-10-3/h5,10H,1,4,6-8H2,2-3H3/b12-9+.
What are the key properties of 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine?
2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine has a molecular weight of 182.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-ethyl-1-[2-(methylamino)ethyl]-3-methylideneguanidine is sourced from PubChem (CID 163900004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).