1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine

C9H21N5 — CID 107164251

IUPAC1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine
SMILESCN1CCC(C)(C/N=C(\N)NN)CC1
InChIInChI=1S/C9H21N5/c1-9(7-12-8(10)13-11)3-5-14(2)6-4-9/h3-7,11H2,1-2H3,(H3,10,12,13)
InChIKeyMYLUUVGEPQUCBB-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.50
Rot. Bonds2

About 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine

1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine (PubChem CID 107164251) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine
PubChem CID107164251
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine
SMILESCN1CCC(C)(C/N=C(\N)NN)CC1
InChIInChI=1S/C9H21N5/c1-9(7-12-8(10)13-11)3-5-14(2)6-4-9/h3-7,11H2,1-2H3,(H3,10,12,13)
InChIKeyMYLUUVGEPQUCBB-UHFFFAOYSA-N
XLogP-0.50
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
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

N'-[(1,4-dimethylpiperidin-4-yl)methyl]butanimidamide
CID 107165255
N'-[(1,4-dimethylpiperidin-4-yl)methyl]cyclopropanecarboximidamide
CID 107165251
1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine
CID 107165698
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
2-[(1-methylcyclobutyl)methyl]-1-phenylguanidine;hydroiodide
CID 111824737
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
CID 107164199
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107164198
1-amino-2-[3-[4-[3-[[amino(hydrazinyl)methylidene]amino]propyl]piperazin-1-yl]propyl]guanidine
CID 15052354
1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224
N-carbamoyl-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163606
2-[(4-methyloxan-4-yl)methyl]-1-phenylguanidine
CID 113252878
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine (CID 107164251) is 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine is CN1CCC(C)(C/N=C(\N)NN)CC1.
What is the InChIKey of 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine?
The InChIKey is MYLUUVGEPQUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-9(7-12-8(10)13-11)3-5-14(2)6-4-9/h3-7,11H2,1-2H3,(H3,10,12,13).
What are the key properties of 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine?
1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine has a molecular weight of 199.30 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 107164251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).