4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine

C10H20N4 — CID 114995509

IUPAC4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine
SMILESCCCCCN(C)c1nc(C)[nH]c1N
InChIInChI=1S/C10H20N4/c1-4-5-6-7-14(3)10-9(11)12-8(2)13-10/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyCSHAHUUUVFBGAM-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.93
Rot. Bonds5

About 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine

4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine (PubChem CID 114995509) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine
PubChem CID114995509
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine
SMILESCCCCCN(C)c1nc(C)[nH]c1N
InChIInChI=1S/C10H20N4/c1-4-5-6-7-14(3)10-9(11)12-8(2)13-10/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyCSHAHUUUVFBGAM-UHFFFAOYSA-N
XLogP1.93
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-methyl-1H-imidazol-4-yl)-butylamino]acetamide
CID 114995054
4-N,2-dimethyl-4-N-(4-methylpentan-2-yl)-1H-imidazole-4,5-diamine
CID 82239206
4-N,6-dimethyl-5-nitro-4-N-pentylpyrimidine-2,4-diamine
CID 114044299
4-N-benzyl-2-methyl-4-N-propyl-1H-imidazole-4,5-diamine
CID 55011806
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
CID 114995053
4-N-(furan-2-ylmethyl)-4-N,2-dimethyl-1H-imidazole-4,5-diamine
CID 82237096
2-N-methyl-2-N-pentylpyrazine-2,5-diamine
CID 80653265
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 114995342
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 76916150
2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine
CID 66279285
3-(aminomethyl)-N-methyl-N-pentylisoquinolin-1-amine
CID 62298772

Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine (CID 114995509) is 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine is CCCCCN(C)c1nc(C)[nH]c1N.
What is the InChIKey of 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine?
The InChIKey is CSHAHUUUVFBGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-6-7-14(3)10-9(11)12-8(2)13-10/h4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine?
4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-4-N-pentyl-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114995509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).