2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine

C9H19N5 — CID 176547026

IUPAC2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(C)CC1CCCC1
InChIInChI=1S/C9H19N5/c1-14(9(12)13-8(10)11)6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyUHWQYVRBEHCLJW-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.32
Rot. Bonds2

About 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine

2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine (PubChem CID 176547026) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine.

Molecular Properties

Compound Name2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
PubChem CID176547026
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine
SMILES[H]/N=C(N)/N=C(\N)N(C)CC1CCCC1
InChIInChI=1S/C9H19N5/c1-14(9(12)13-8(10)11)6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H5,10,11,12,13)
InChIKeyUHWQYVRBEHCLJW-UHFFFAOYSA-N
XLogP0.32
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.32
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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Related Compounds

2-amino-1-(cyclopentylmethyl)-1-methylguanidine
CID 77058534
2-carbamimidoyl-1-cyclohexyl-1-methylguanidine;hydrochloride
CID 176518469
1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine
CID 62364104
2-carbamimidoyl-1-(2-cyanoethyl)-1-methylguanidine
CID 176546720
2-carbamimidoyl-1,1-dicyclohexylguanidine;hydrochloride
CID 176518473
2-amino-1-(cyclopropylmethyl)-1-methylguanidine
CID 64868366
2-carbamimidoyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 176546898
2-carbamimidoyl-1-methyl-1-tridecylguanidine;hydrochloride
CID 176529990
2-carbamimidoyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
CID 176546751
2-carbamimidoyl-1,1-dimethylguanidine;ethanol;hydrochloride
CID 176531718
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
2-carbamimidoyl-1,1-dimethylguanidine;ethene;hydrochloride
CID 176525900

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine?
The IUPAC name of 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine (CID 176547026) is 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine.
What is the SMILES notation for 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine?
The canonical SMILES for 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine is [H]/N=C(N)/N=C(\N)N(C)CC1CCCC1.
What is the InChIKey of 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine?
The InChIKey is UHWQYVRBEHCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-14(9(12)13-8(10)11)6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H5,10,11,12,13).
What are the key properties of 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine?
2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine has a molecular weight of 197.29 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-(cyclopentylmethyl)-1-methylguanidine is sourced from PubChem (CID 176547026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).