1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine

C7H17N5 — CID 170129585

IUPAC1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine
SMILESC/N=C(\N)N[C@H]1CC[C@H](NN)C1
InChIInChI=1S/C7H17N5/c1-10-7(8)11-5-2-3-6(4-5)12-9/h5-6,12H,2-4,9H2,1H3,(H3,8,10,11)/t5-,6-/m0/s1
InChIKeyJNBFPNKJUPNXND-WDSKDSINSA-N
MW171.25 g/mol
LogP-1.10
Rot. Bonds2

About 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine

1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine (PubChem CID 170129585) has the molecular formula C7H17N5 and a molecular weight of 171.25 g/mol. Its IUPAC name is 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine
PubChem CID170129585
Molecular FormulaC7H17N5
Molecular Weight171.25 g/mol
Exact Mass171.15
IUPAC Name1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine
SMILESC/N=C(\N)N[C@H]1CC[C@H](NN)C1
InChIInChI=1S/C7H17N5/c1-10-7(8)11-5-2-3-6(4-5)12-9/h5-6,12H,2-4,9H2,1H3,(H3,8,10,11)/t5-,6-/m0/s1
InChIKeyJNBFPNKJUPNXND-WDSKDSINSA-N
XLogP-1.10
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-[[(1S,3S)-3-[(N'-methylcarbamimidoyl)amino]cyclopentyl]amino]carbamate
CID 170130568
2-[[2-[bis(carboxymethyl)amino]-4-[(N'-methylcarbamimidoyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
CID 58864144
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
1-(2-cyclopropylcyclopropyl)-2-methylguanidine;hydroiodide
CID 130614190
tert-butyl N-methyl-N-[methyl-[(1S,3S)-3-[(N'-methylcarbamimidoyl)amino]cyclopentyl]amino]carbamate
CID 170129986
2-methyl-1-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 167193473
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
2-ethyl-1-[(1R,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 124504714
1-[3-(4-fluorophenyl)cyclobutyl]-2-methylguanidine
CID 122082851
2-ethyl-1-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530252
2-methyl-1-(2-methylcyclohexyl)guanidine
CID 62359337
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine?
The IUPAC name of 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine (CID 170129585) is 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine?
The canonical SMILES for 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine is C/N=C(\N)N[C@H]1CC[C@H](NN)C1.
What is the InChIKey of 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine?
The InChIKey is JNBFPNKJUPNXND-WDSKDSINSA-N. The full InChI is InChI=1S/C7H17N5/c1-10-7(8)11-5-2-3-6(4-5)12-9/h5-6,12H,2-4,9H2,1H3,(H3,8,10,11)/t5-,6-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine?
1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine has a molecular weight of 171.25 g/mol, XLogP of -1.10, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-hydrazinylcyclopentyl]-2-methylguanidine is sourced from PubChem (CID 170129585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).