1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine

C10H23N5 — CID 107165698

IUPAC1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine
SMILESC/N=C(\NN)NCC1(C)CCN(C)CC1
InChIInChI=1S/C10H23N5/c1-10(4-6-15(3)7-5-10)8-13-9(12-2)14-11/h4-8,11H2,1-3H3,(H2,12,13,14)
InChIKeyFNBUVTNDUOKGQM-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.24
Rot. Bonds2

About 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine

1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine (PubChem CID 107165698) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine
PubChem CID107165698
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine
SMILESC/N=C(\NN)NCC1(C)CCN(C)CC1
InChIInChI=1S/C10H23N5/c1-10(4-6-15(3)7-5-10)8-13-9(12-2)14-11/h4-8,11H2,1-3H3,(H2,12,13,14)
InChIKeyFNBUVTNDUOKGQM-UHFFFAOYSA-N
XLogP-0.24
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.24
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

2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
CID 107163870
1-amino-2-[(1,4-dimethylpiperidin-4-yl)methyl]guanidine
CID 107164251
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-propan-2-ylthiourea
CID 103975349
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 107164095
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 111760433
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine (CID 107165698) is 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine is C/N=C(\NN)NCC1(C)CCN(C)CC1.
What is the InChIKey of 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine?
The InChIKey is FNBUVTNDUOKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-10(4-6-15(3)7-5-10)8-13-9(12-2)14-11/h4-8,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine?
1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine has a molecular weight of 213.33 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 107165698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).