N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine

C9H18N4 — CID 62957721

IUPACN'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCCn1ccnc1CNCCN
InChIInChI=1S/C9H18N4/c1-2-6-13-7-5-12-9(13)8-11-4-3-10/h5,7,11H,2-4,6,8,10H2,1H3
InChIKeyJYAMQZFMJYENPE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.34
Rot. Bonds6

About N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine

N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 62957721) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID62957721
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCCCn1ccnc1CNCCN
InChIInChI=1S/C9H18N4/c1-2-6-13-7-5-12-9(13)8-11-4-3-10/h5,7,11H,2-4,6,8,10H2,1H3
InChIKeyJYAMQZFMJYENPE-UHFFFAOYSA-N
XLogP0.34
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
2-prop-2-enylsulfanyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 106425362
N-[(1-propylimidazol-2-yl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 106426205
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037

Frequently Asked Questions

What is the IUPAC name of N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 62957721) is N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine is CCCn1ccnc1CNCCN.
What is the InChIKey of N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is JYAMQZFMJYENPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-2-6-13-7-5-12-9(13)8-11-4-3-10/h5,7,11H,2-4,6,8,10H2,1H3.
What are the key properties of N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine?
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62957721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).