1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine

C10H24N6 — CID 176547006

IUPAC1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCN(C)C(C)C
InChIInChI=1S/C10H24N6/c1-8(2)16(3)7-5-4-6-14-10(13)15-9(11)12/h8H,4-7H2,1-3H3,(H6,11,12,13,14,15)
InChIKeyKRLQVQHLMLBBNG-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.10
Rot. Bonds6

About 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine

1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine (PubChem CID 176547006) has the molecular formula C10H24N6 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
PubChem CID176547006
Molecular FormulaC10H24N6
Molecular Weight228.34 g/mol
Exact Mass228.21
IUPAC Name1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCN(C)C(C)C
InChIInChI=1S/C10H24N6/c1-8(2)16(3)7-5-4-6-14-10(13)15-9(11)12/h8H,4-7H2,1-3H3,(H6,11,12,13,14,15)
InChIKeyKRLQVQHLMLBBNG-UHFFFAOYSA-N
XLogP-0.10
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
N'-[4-[methyl(propan-2-yl)amino]butyl]propanimidamide
CID 63176646
1-(diaminomethylidene)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 83037161

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The IUPAC name of 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine (CID 176547006) is 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The canonical SMILES for 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine is [H]/N=C(\N)N/C(N)=N/CCCCN(C)C(C)C.
What is the InChIKey of 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
The InChIKey is KRLQVQHLMLBBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N6/c1-8(2)16(3)7-5-4-6-14-10(13)15-9(11)12/h8H,4-7H2,1-3H3,(H6,11,12,13,14,15).
What are the key properties of 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine?
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine is sourced from PubChem (CID 176547006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).