2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride

C7H18ClN5 — CID 176529364

IUPAC2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C)CC(C)C
InChIInChI=1S/C7H17N5.ClH/c1-5(2)4-12(3)7(10)11-6(8)9;/h5H,4H2,1-3H3,(H5,8,9,10,11);1H
InChIKeyOTNPDCZMACNBQR-UHFFFAOYSA-N
MW207.71 g/mol
LogP0.20
Rot. Bonds2

About 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride

2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride (PubChem CID 176529364) has the molecular formula C7H18ClN5 and a molecular weight of 207.71 g/mol. Its IUPAC name is 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride
PubChem CID176529364
Molecular FormulaC7H18ClN5
Molecular Weight207.71 g/mol
Exact Mass207.13
IUPAC Name2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C)CC(C)C
InChIInChI=1S/C7H17N5.ClH/c1-5(2)4-12(3)7(10)11-6(8)9;/h5H,4H2,1-3H3,(H5,8,9,10,11);1H
InChIKeyOTNPDCZMACNBQR-UHFFFAOYSA-N
XLogP0.20
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride (CID 176529364) is 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N(C)CC(C)C.
What is the InChIKey of 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride?
The InChIKey is OTNPDCZMACNBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5.ClH/c1-5(2)4-12(3)7(10)11-6(8)9;/h5H,4H2,1-3H3,(H5,8,9,10,11);1H.
What are the key properties of 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride?
2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride has a molecular weight of 207.71 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-methyl-1-(2-methylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 176529364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).