2-[(3-methylimidazolidin-1-yl)amino]guanidine

C5H14N6 — CID 175221933

IUPAC2-[(3-methylimidazolidin-1-yl)amino]guanidine
SMILESCN1CCN(NN=C(N)N)C1
InChIInChI=1S/C5H14N6/c1-10-2-3-11(4-10)9-8-5(6)7/h9H,2-4H2,1H3,(H4,6,7,8)
InChIKeyBTCRBBWIMWNZBA-UHFFFAOYSA-N
MW158.21 g/mol
LogP-2.12
Rot. Bonds2

About 2-[(3-methylimidazolidin-1-yl)amino]guanidine

2-[(3-methylimidazolidin-1-yl)amino]guanidine (PubChem CID 175221933) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is 2-[(3-methylimidazolidin-1-yl)amino]guanidine.

Molecular Properties

Compound Name2-[(3-methylimidazolidin-1-yl)amino]guanidine
PubChem CID175221933
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Name2-[(3-methylimidazolidin-1-yl)amino]guanidine
SMILESCN1CCN(NN=C(N)N)C1
InChIInChI=1S/C5H14N6/c1-10-2-3-11(4-10)9-8-5(6)7/h9H,2-4H2,1H3,(H4,6,7,8)
InChIKeyBTCRBBWIMWNZBA-UHFFFAOYSA-N
XLogP-2.12
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1,4-dimethylpiperazine;ethane
CID 91292414
N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
CID 83016301
1-(3-methylimidazolidin-1-yl)ethanol
CID 122204865
2-(3-methylimidazolidin-1-yl)acetamide
CID 11299041
N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
ethane;1-hydroxy-4-methylpiperazine
CID 142974106
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylpiperazin-1-yl)guanidine
CID 606306
N-(4-methylpiperazin-1-yl)carbamodithioate
CID 91929834
4-methyl-N-(oxetan-3-yl)piperazin-1-amine
CID 83008980
4-methyl-N'-(1-sulfanylethyl)piperazine-1-carboximidamide
CID 123691769
2-amino-N-(4-methylpiperazin-1-yl)butanediamide
CID 83015245

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazolidin-1-yl)amino]guanidine?
The IUPAC name of 2-[(3-methylimidazolidin-1-yl)amino]guanidine (CID 175221933) is 2-[(3-methylimidazolidin-1-yl)amino]guanidine.
What is the SMILES notation for 2-[(3-methylimidazolidin-1-yl)amino]guanidine?
The canonical SMILES for 2-[(3-methylimidazolidin-1-yl)amino]guanidine is CN1CCN(NN=C(N)N)C1.
What is the InChIKey of 2-[(3-methylimidazolidin-1-yl)amino]guanidine?
The InChIKey is BTCRBBWIMWNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6/c1-10-2-3-11(4-10)9-8-5(6)7/h9H,2-4H2,1H3,(H4,6,7,8).
What are the key properties of 2-[(3-methylimidazolidin-1-yl)amino]guanidine?
2-[(3-methylimidazolidin-1-yl)amino]guanidine has a molecular weight of 158.21 g/mol, XLogP of -2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazolidin-1-yl)amino]guanidine is sourced from PubChem (CID 175221933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).