N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine

C9H17N3 — CID 66118230

IUPACN-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
SMILESCCn1cncc1CNC(C)C
InChIInChI=1S/C9H17N3/c1-4-12-7-10-5-9(12)6-11-8(2)3/h5,7-8,11H,4,6H2,1-3H3
InChIKeyWOKQFRPJJQNLAR-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine

N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66118230) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66118230
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
SMILESCCn1cncc1CNC(C)C
InChIInChI=1S/C9H17N3/c1-4-12-7-10-5-9(12)6-11-8(2)3/h5,7-8,11H,4,6H2,1-3H3
InChIKeyWOKQFRPJJQNLAR-UHFFFAOYSA-N
XLogP1.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
CID 66135627
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
CID 106294312
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine (CID 66118230) is N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine is CCn1cncc1CNC(C)C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is WOKQFRPJJQNLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-12-7-10-5-9(12)6-11-8(2)3/h5,7-8,11H,4,6H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66118230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).