1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride

C5H14ClN5 — CID 176520167

IUPAC1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(C)C
InChIInChI=1S/C5H13N5.ClH/c1-3(2)9-5(8)10-4(6)7;/h3H,1-2H3,(H6,6,7,8,9,10);1H
InChIKeyXGYJEGYASMHSSX-UHFFFAOYSA-N
MW179.66 g/mol
LogP-0.39
Rot. Bonds1

About 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride

1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride (PubChem CID 176520167) has the molecular formula C5H14ClN5 and a molecular weight of 179.66 g/mol. Its IUPAC name is 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride
PubChem CID176520167
Molecular FormulaC5H14ClN5
Molecular Weight179.66 g/mol
Exact Mass179.09
IUPAC Name1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(C)C
InChIInChI=1S/C5H13N5.ClH/c1-3(2)9-5(8)10-4(6)7;/h3H,1-2H3,(H6,6,7,8,9,10);1H
InChIKeyXGYJEGYASMHSSX-UHFFFAOYSA-N
XLogP-0.39
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.66
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

N-butyl-1-carbamimidamidomethanimidamide
CID 176516704
1-Isopropylbiguanide hydrochloride
CID 9570185
Biguanide, 1-isopropyl-, hydrochloride
CID 24181358
1-Cyano-3-(1-methylethyl)guanidine
CID 370391
Biguanide, 1-sec-butyl-, monohydrochloride
CID 135624042
iBuB hydrochloride
CID 176521023
GS-18667 free base
CID 23437065
Adebit
CID 176516537
Imidodicarbonimidic diamide, N-(1-methylethyl)-
CID 176522911
1-carbamimidoyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210309
(N'-carbamimidoylcarbamimidoyl)-propan-2-ylazanium chloride
CID 20889
1,5-Bis(1-methylethyl)biguanide hydrochloride
CID 72941549

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride (CID 176520167) is 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/C(C)C.
What is the InChIKey of 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride?
The InChIKey is XGYJEGYASMHSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5.ClH/c1-3(2)9-5(8)10-4(6)7;/h3H,1-2H3,(H6,6,7,8,9,10);1H.
What are the key properties of 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride?
1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride has a molecular weight of 179.66 g/mol, XLogP of -0.39, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-propan-2-ylguanidine;hydrochloride is sourced from PubChem (CID 176520167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).