ethyl-[(1-propylimidazol-2-yl)methyl]azanium

C9H18N3+ — CID 7147625

IUPACethyl-[(1-propylimidazol-2-yl)methyl]azanium
SMILESCCCn1ccnc1C[NH2+]CC
InChIInChI=1S/C9H17N3/c1-3-6-12-7-5-11-9(12)8-10-4-2/h5,7,10H,3-4,6,8H2,1-2H3/p+1
InChIKeyWUPWCOLXGMVZJU-UHFFFAOYSA-O
MW168.26 g/mol
LogP0.38
Rot. Bonds5

About ethyl-[(1-propylimidazol-2-yl)methyl]azanium

ethyl-[(1-propylimidazol-2-yl)methyl]azanium (PubChem CID 7147625) has the molecular formula C9H18N3+ and a molecular weight of 168.26 g/mol. Its IUPAC name is ethyl-[(1-propylimidazol-2-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[(1-propylimidazol-2-yl)methyl]azanium
PubChem CID7147625
Molecular FormulaC9H18N3+
Molecular Weight168.26 g/mol
Exact Mass168.15
IUPAC Nameethyl-[(1-propylimidazol-2-yl)methyl]azanium
SMILESCCCn1ccnc1C[NH2+]CC
InChIInChI=1S/C9H17N3/c1-3-6-12-7-5-11-9(12)8-10-4-2/h5,7,10H,3-4,6,8H2,1-2H3/p+1
InChIKeyWUPWCOLXGMVZJU-UHFFFAOYSA-O
XLogP0.38
TPSA34.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[(1-methylimidazol-2-yl)methyl]azanium
CID 7147628
2-chloro-1-propylimidazole
CID 142765750
(1-propylimidazol-2-yl)methanesulfonyl chloride
CID 79761559
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
2-(5-bromopent-2-enyl)-1-propylimidazole
CID 79762071
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219

Frequently Asked Questions

What is the IUPAC name of ethyl-[(1-propylimidazol-2-yl)methyl]azanium?
The IUPAC name of ethyl-[(1-propylimidazol-2-yl)methyl]azanium (CID 7147625) is ethyl-[(1-propylimidazol-2-yl)methyl]azanium.
What is the SMILES notation for ethyl-[(1-propylimidazol-2-yl)methyl]azanium?
The canonical SMILES for ethyl-[(1-propylimidazol-2-yl)methyl]azanium is CCCn1ccnc1C[NH2+]CC.
What is the InChIKey of ethyl-[(1-propylimidazol-2-yl)methyl]azanium?
The InChIKey is WUPWCOLXGMVZJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17N3/c1-3-6-12-7-5-11-9(12)8-10-4-2/h5,7,10H,3-4,6,8H2,1-2H3/p+1.
What are the key properties of ethyl-[(1-propylimidazol-2-yl)methyl]azanium?
ethyl-[(1-propylimidazol-2-yl)methyl]azanium has a molecular weight of 168.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(1-propylimidazol-2-yl)methyl]azanium is sourced from PubChem (CID 7147625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).