N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

C7H14N4 — CID 20557710

IUPACN'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CNCCN
InChIInChI=1S/C7H14N4/c1-6-7(11-5-10-6)4-9-3-2-8/h5,9H,2-4,8H2,1H3,(H,10,11)
InChIKeyDMSGIPMFFYVZAX-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.23
Rot. Bonds4

About N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 20557710) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID20557710
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CNCCN
InChIInChI=1S/C7H14N4/c1-6-7(11-5-10-6)4-9-3-2-8/h5,9H,2-4,8H2,1H3,(H,10,11)
InChIKeyDMSGIPMFFYVZAX-UHFFFAOYSA-N
XLogP-0.23
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dimethyl-1H-imidazole
CID 75306
3-Propyladenine
CID 135435068
3-Ethyladenine
CID 135435067
1H-Imidazole, 4-methyl-5-(trifluoromethyl)-
CID 591632
2-Methyl-6-thiopurine
CID 3037429
1-Ethyladenine
CID 135398554
4,5-Dimethyl-1H-imidazole hydrochloride
CID 15556999
3-Butyladenine
CID 135435069
6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939021
N3-Metyladenine
CID 440553
6,7-dihydro-3H-purine-2,6-diamine
CID 11030015
1-Methyl-9H-purin-6-ylamine
CID 13908780

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine (CID 20557710) is N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is Cc1[nH]cnc1CNCCN.
What is the InChIKey of N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is DMSGIPMFFYVZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6-7(11-5-10-6)4-9-3-2-8/h5,9H,2-4,8H2,1H3,(H,10,11).
What are the key properties of N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 20557710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).