N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

C9H17N3 — CID 14010475

IUPACN-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nc[nH]c1C
InChIInChI=1S/C9H17N3/c1-4-12(5-2)6-9-8(3)10-7-11-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyLWSSDRQWKVSLAH-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.56
Rot. Bonds4

About N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 14010475) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID14010475
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCCN(CC)Cc1nc[nH]c1C
InChIInChI=1S/C9H17N3/c1-4-12(5-2)6-9-8(3)10-7-11-9/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyLWSSDRQWKVSLAH-UHFFFAOYSA-N
XLogP1.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-1H-imidazole
CID 75306
3-Propyladenine
CID 135435068
3-Ethyladenine
CID 135435067
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
3H-Purin-6-amine, 3-pentyl-
CID 135435070
(5-methyl-1H-imidazol-4-yl)methanamine dihydrochloride
CID 20393968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 14010475) is N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is CCN(CC)Cc1nc[nH]c1C.
What is the InChIKey of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is LWSSDRQWKVSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-12(5-2)6-9-8(3)10-7-11-9/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 14010475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).