2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride

C10H20ClN5 — CID 176539642

IUPAC2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(CC1CC1)CC1CC1
InChIInChI=1S/C10H19N5.ClH/c11-9(12)14-10(13)15(5-7-1-2-7)6-8-3-4-8;/h7-8H,1-6H2,(H5,11,12,13,14);1H
InChIKeyMXPIWIUGFTXBGR-UHFFFAOYSA-N
MW245.76 g/mol
LogP0.74
Rot. Bonds4

About 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride

2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride (PubChem CID 176539642) has the molecular formula C10H20ClN5 and a molecular weight of 245.76 g/mol. Its IUPAC name is 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride
PubChem CID176539642
Molecular FormulaC10H20ClN5
Molecular Weight245.76 g/mol
Exact Mass245.14
IUPAC Name2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(CC1CC1)CC1CC1
InChIInChI=1S/C10H19N5.ClH/c11-9(12)14-10(13)15(5-7-1-2-7)6-8-3-4-8;/h7-8H,1-6H2,(H5,11,12,13,14);1H
InChIKeyMXPIWIUGFTXBGR-UHFFFAOYSA-N
XLogP0.74
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 50.74
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-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride (CID 176539642) is 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N(CC1CC1)CC1CC1.
What is the InChIKey of 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride?
The InChIKey is MXPIWIUGFTXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.ClH/c11-9(12)14-10(13)15(5-7-1-2-7)6-8-3-4-8;/h7-8H,1-6H2,(H5,11,12,13,14);1H.
What are the key properties of 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride?
2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride has a molecular weight of 245.76 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1,1-bis(cyclopropylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 176539642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).