1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine

C11H23N5 — CID 146868799

IUPAC1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\NC(=C)N(C)C)NC(C)(C)N
InChIInChI=1S/C11H23N5/c1-7-8-13-10(15-11(3,4)12)14-9(2)16(5)6/h7H,1-2,8,12H2,3-6H3,(H2,13,14,15)
InChIKeySNKOCJOWZXVWFH-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.44
Rot. Bonds5

About 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine

1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine (PubChem CID 146868799) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine
PubChem CID146868799
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine
SMILESC=CC/N=C(\NC(=C)N(C)C)NC(C)(C)N
InChIInChI=1S/C11H23N5/c1-7-8-13-10(15-11(3,4)12)14-9(2)16(5)6/h7H,1-2,8,12H2,3-6H3,(H2,13,14,15)
InChIKeySNKOCJOWZXVWFH-UHFFFAOYSA-N
XLogP0.44
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Di(propan-2-yl)-1,1-bis(prop-2-enyl)guanidine
CID 11528677
1,1,2,3-Tetrakis(prop-2-enyl)guanidine
CID 21753361
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768
1,3-Ditert-butyl-2-prop-2-enylguanidine
CID 59816771
1-Tert-butyl-2-methyl-3-prop-2-enylguanidine
CID 117759033
1-(3-aminopropyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118489715
1-(3-aminobutyl)-1,2-dimethyl-3-[(E)-prop-1-enyl]guanidine
CID 118489737
1,1,3-trimethyl-3-[3-(methylamino)propyl]-2-[(E)-prop-1-enyl]guanidine
CID 118489738
1-(2-aminoethyl)-1,3,3-trimethyl-2-[(E)-prop-1-enyl]guanidine
CID 118490163
N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118972963
4-Ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
CID 122451971

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine?
The IUPAC name of 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine (CID 146868799) is 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine.
What is the SMILES notation for 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine?
The canonical SMILES for 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine is C=CC/N=C(\NC(=C)N(C)C)NC(C)(C)N.
What is the InChIKey of 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine?
The InChIKey is SNKOCJOWZXVWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-7-8-13-10(15-11(3,4)12)14-9(2)16(5)6/h7H,1-2,8,12H2,3-6H3,(H2,13,14,15).
What are the key properties of 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine?
1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine has a molecular weight of 225.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine is sourced from PubChem (CID 146868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).