1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine

C11H25N5 — CID 172938498

IUPAC1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine
SMILESCN(C)CCN(C)C(N)=N/N=C/C(C)(C)C
InChIInChI=1S/C11H25N5/c1-11(2,3)9-13-14-10(12)16(6)8-7-15(4)5/h9H,7-8H2,1-6H3,(H2,12,14)/b13-9+
InChIKeyCERZJBMFDCYTLV-UKTHLTGXSA-N
MW227.36 g/mol
LogP0.83
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine

1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine (PubChem CID 172938498) has the molecular formula C11H25N5 and a molecular weight of 227.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine
PubChem CID172938498
Molecular FormulaC11H25N5
Molecular Weight227.36 g/mol
Exact Mass227.21
IUPAC Name1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine
SMILESCN(C)CCN(C)C(N)=N/N=C/C(C)(C)C
InChIInChI=1S/C11H25N5/c1-11(2,3)9-13-14-10(12)16(6)8-7-15(4)5/h9H,7-8H2,1-6H3,(H2,12,14)/b13-9+
InChIKeyCERZJBMFDCYTLV-UKTHLTGXSA-N
XLogP0.83
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 130557075
(1E,3Z)-1-N'-[2-(dimethylamino)ethyl]-1-N'-methylpenta-1,3-diene-1,1,4-triamine
CID 134406427
N'-[(E)-2,2-dimethylpropylideneamino]-4-methylpiperazine-1-carboximidamide
CID 172938497
2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
CID 62364543
2-tert-butyl-1-methyl-1-pentylguanidine
CID 62359388
(3Z)-2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethylhexa-1,3,5-triene-2,5-diamine
CID 155721831
2-tert-butyl-1-methyl-1-(2-methylsulfanylethyl)guanidine
CID 112660655
3-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]-1-methylguanidine
CID 79006437
3-[carbamoyl-[2-(dimethylamino)ethyl]amino]-3-methylbutanoic acid
CID 96599662
(Z)-3-amino-N'-[2-(dimethylamino)ethyl]-4,4-dimethylpent-2-enimidamide
CID 155586195
1-(2-hydroxyethyl)-1,2-dimethylguanidine
CID 55287328
CID 88826921
CID 88826921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine (CID 172938498) is 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine is CN(C)CCN(C)C(N)=N/N=C/C(C)(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine?
The InChIKey is CERZJBMFDCYTLV-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H25N5/c1-11(2,3)9-13-14-10(12)16(6)8-7-15(4)5/h9H,7-8H2,1-6H3,(H2,12,14)/b13-9+.
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine?
1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine has a molecular weight of 227.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-[(E)-2,2-dimethylpropylideneamino]-1-methylguanidine is sourced from PubChem (CID 172938498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).