1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine

C7H18N6 — CID 176520724

IUPAC1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C(C)CN(C)C
InChIInChI=1S/C7H18N6/c1-5(4-13(2)3)11-7(10)12-6(8)9/h5H,4H2,1-3H3,(H6,8,9,10,11,12)
InChIKeyYKRKLCPIPPHNQZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.27
Rot. Bonds3

About 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine

1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine (PubChem CID 176520724) has the molecular formula C7H18N6 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
PubChem CID176520724
Molecular FormulaC7H18N6
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC Name1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C(C)CN(C)C
InChIInChI=1S/C7H18N6/c1-5(4-13(2)3)11-7(10)12-6(8)9/h5H,4H2,1-3H3,(H6,8,9,10,11,12)
InChIKeyYKRKLCPIPPHNQZ-UHFFFAOYSA-N
XLogP-1.27
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
CID 176524679
1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
CID 176546881
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 176546798
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
3-(dimethylamino)-2-methylpropanimidamide
CID 43368046
1-carbamimidoyl-2-(6-chlorohexan-3-yl)guanidine;hydrochloride
CID 176522828
2-[[amino(carbamimidamido)methylidene]amino]octanoic acid
CID 176529270
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine?
The IUPAC name of 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine (CID 176520724) is 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine?
The canonical SMILES for 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine is [H]/N=C(\N)N/C(N)=N/C(C)CN(C)C.
What is the InChIKey of 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine?
The InChIKey is YKRKLCPIPPHNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6/c1-5(4-13(2)3)11-7(10)12-6(8)9/h5H,4H2,1-3H3,(H6,8,9,10,11,12).
What are the key properties of 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine?
1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine has a molecular weight of 186.26 g/mol, XLogP of -1.27, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine is sourced from PubChem (CID 176520724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).