1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine

C14H31N5O — CID 104882997

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCOCC(C)N/C(=N/CCCN1CCCCC1C)NN
InChIInChI=1S/C14H31N5O/c1-12(11-20-3)17-14(18-15)16-8-6-10-19-9-5-4-7-13(19)2/h12-13H,4-11,15H2,1-3H3,(H2,16,17,18)
InChIKeyASBARZYQISDVIJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP0.69
Rot. Bonds7

About 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine (PubChem CID 104882997) has the molecular formula C14H31N5O and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
PubChem CID104882997
Molecular FormulaC14H31N5O
Molecular Weight285.44 g/mol
Exact Mass285.25
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine
SMILESCOCC(C)N/C(=N/CCCN1CCCCC1C)NN
InChIInChI=1S/C14H31N5O/c1-12(11-20-3)17-14(18-15)16-8-6-10-19-9-5-4-7-13(19)2/h12-13H,4-11,15H2,1-3H3,(H2,16,17,18)
InChIKeyASBARZYQISDVIJ-UHFFFAOYSA-N
XLogP0.69
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(2-Methoxyethylamino)cyclohexyl]-1-[1-[methyl(methylamino)amino]ethyl]guanidine
CID 126558491
1-[1-(2-Methoxyethyl)piperidin-4-yl]-2-methylguanidine
CID 47091818
1-[1-(2-Methoxyethyl)piperidin-4-yl]-2-methylguanidine;hydrobromide
CID 75361620
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102972044
1-Amino-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 104881937
1-Amino-2-methyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 104881971
1-Amino-2-methyl-3-(1-morpholin-4-ylpropan-2-yl)guanidine
CID 104882166
1-Amino-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 104882331
1-Amino-3-(1,2-dimethylpiperidin-4-yl)-2-methylguanidine
CID 104882388
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882509
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882517

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine (CID 104882997) is 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine is COCC(C)N/C(=N/CCCN1CCCCC1C)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
The InChIKey is ASBARZYQISDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5O/c1-12(11-20-3)17-14(18-15)16-8-6-10-19-9-5-4-7-13(19)2/h12-13H,4-11,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine has a molecular weight of 285.44 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine is sourced from PubChem (CID 104882997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).