2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine

C14H25N5O2 — CID 106644220

IUPAC2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
SMILESCCCN(CC1CCCNC1)c1c([N+](=O)[O-])nc(C)n1C
InChIInChI=1S/C14H25N5O2/c1-4-8-18(10-12-6-5-7-15-9-12)14-13(19(20)21)16-11(2)17(14)3/h12,15H,4-10H2,1-3H3
InChIKeyTXCJLBOFHQJSGH-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.85
Rot. Bonds6

About 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine

2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine (PubChem CID 106644220) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
PubChem CID106644220
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine
SMILESCCCN(CC1CCCNC1)c1c([N+](=O)[O-])nc(C)n1C
InChIInChI=1S/C14H25N5O2/c1-4-8-18(10-12-6-5-7-15-9-12)14-13(19(20)21)16-11(2)17(14)3/h12,15H,4-10H2,1-3H3
InChIKeyTXCJLBOFHQJSGH-UHFFFAOYSA-N
XLogP1.85
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-nitro-N-(piperidin-3-ylmethyl)-N-propylaniline
CID 106644069
N-(azetidin-3-yl)-N,2,3-trimethyl-5-nitroimidazol-4-amine
CID 103555031
5,6-diethyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-triazin-3-amine
CID 106644080
1-methyl-N-(piperidin-3-ylmethyl)-N-propylbenzimidazol-2-amine
CID 106643971
N-ethyl-3-iodo-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643390
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
6-methyl-N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 106644116
5-chloro-2-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644235
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
3-tert-butyl-N-(piperidin-3-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 106644173
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine (CID 106644220) is 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine is CCCN(CC1CCCNC1)c1c([N+](=O)[O-])nc(C)n1C.
What is the InChIKey of 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine?
The InChIKey is TXCJLBOFHQJSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-8-18(10-12-6-5-7-15-9-12)14-13(19(20)21)16-11(2)17(14)3/h12,15H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine?
2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine has a molecular weight of 295.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-nitro-N-(piperidin-3-ylmethyl)-N-propylimidazol-4-amine is sourced from PubChem (CID 106644220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).