1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine

C9H21N5 — CID 104882398

IUPAC1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine
SMILESC/N=C(\NN)NN1C(C)CCCC1C
InChIInChI=1S/C9H21N5/c1-7-5-4-6-8(2)14(7)13-9(11-3)12-10/h7-8H,4-6,10H2,1-3H3,(H2,11,12,13)
InChIKeyCWKMRTVOPNMJTB-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.20
Rot. Bonds1

About 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine

1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine (PubChem CID 104882398) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine
PubChem CID104882398
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine
SMILESC/N=C(\NN)NN1C(C)CCCC1C
InChIInChI=1S/C9H21N5/c1-7-5-4-6-8(2)14(7)13-9(11-3)12-10/h7-8H,4-6,10H2,1-3H3,(H2,11,12,13)
InChIKeyCWKMRTVOPNMJTB-UHFFFAOYSA-N
XLogP0.20
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.20
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

1-amino-3-(2,3-dimethylcyclohexyl)-2-methylguanidine
CID 104881941
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-methylthiourea
CID 799649
1-amino-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 67070956
1-amino-N-(2,6-dimethylpiperidin-1-yl)cyclopentane-1-carboxamide
CID 83021218
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
N-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropanamide
CID 103430329
1-amino-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 104881960
1-amino-2-methyl-3-[2-(3-methylcyclohexyl)ethyl]guanidine
CID 104882276
2-amino-N-[2-[(2,6-dimethylpiperidin-1-yl)amino]-2-oxoethyl]acetamide
CID 83020997
N-(2,6-dimethylpiperidin-1-yl)-2-methoxyacetamide
CID 70906561
N-(2,6-dimethylpiperidin-1-yl)-2-(ethylamino)acetamide
CID 83020995
1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-methylguanidine
CID 104931189

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine (CID 104882398) is 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine is C/N=C(\NN)NN1C(C)CCCC1C.
What is the InChIKey of 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine?
The InChIKey is CWKMRTVOPNMJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-7-5-4-6-8(2)14(7)13-9(11-3)12-10/h7-8H,4-6,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine?
1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,6-dimethylpiperidin-1-yl)-2-methylguanidine is sourced from PubChem (CID 104882398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).