1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine

C11H23N5 — CID 88754158

IUPAC1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine
SMILES[H]/N=C(\N)N(C(C=C)N(C)C)C(C=C)N(C)C
InChIInChI=1S/C11H23N5/c1-7-9(14(3)4)16(11(12)13)10(8-2)15(5)6/h7-10H,1-2H2,3-6H3,(H3,12,13)
InChIKeyGTNQQTFTZYKNRI-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.33
Rot. Bonds6

About 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine

1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine (PubChem CID 88754158) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine.

Molecular Properties

Compound Name1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine
PubChem CID88754158
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine
SMILES[H]/N=C(\N)N(C(C=C)N(C)C)C(C=C)N(C)C
InChIInChI=1S/C11H23N5/c1-7-9(14(3)4)16(11(12)13)10(8-2)15(5)6/h7-10H,1-2H2,3-6H3,(H3,12,13)
InChIKeyGTNQQTFTZYKNRI-UHFFFAOYSA-N
XLogP0.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
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-[carbamimidoyl(methyl)amino]but-3-enoic acid
CID 175022605
1,1-bis(ethenyl)guanidine
CID 174821814
1-iodo-1-methylguanidine
CID 174838872
1-(1-hydroxyethyl)-1-methylguanidine
CID 21449246
1-ethenyl-1-hydroxyguanidine;hydrochloride
CID 174443893
N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
1-carbamimidoyl-1-hex-5-en-2-ylguanidine;hydrochloride
CID 24839367
prop-2-enyl N-carbamimidoyl-N-methylcarbamimidothioate
CID 173402457
2-[carbamimidoyl(methyl)amino]-2-phosphonobut-3-enoic acid
CID 175022354
1-(ethylideneamino)-1-methylguanidine;hydrochloride
CID 129017623
1-carbamimidoylguanidine;prop-1-ene
CID 176521577
1-(diaminomethylideneamino)-1-prop-2-enylguanidine
CID 91460470

Frequently Asked Questions

What is the IUPAC name of 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine?
The IUPAC name of 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine (CID 88754158) is 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine.
What is the SMILES notation for 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine?
The canonical SMILES for 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine is [H]/N=C(\N)N(C(C=C)N(C)C)C(C=C)N(C)C.
What is the InChIKey of 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine?
The InChIKey is GTNQQTFTZYKNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5/c1-7-9(14(3)4)16(11(12)13)10(8-2)15(5)6/h7-10H,1-2H2,3-6H3,(H3,12,13).
What are the key properties of 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine?
1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[1-(dimethylamino)prop-2-enyl]guanidine is sourced from PubChem (CID 88754158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).