N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine

C13H23N7 — CID 155962206

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine
SMILESCCn1ccnc1CN(C)CCC(C)(C)c1nn[nH]n1
InChIInChI=1S/C13H23N7/c1-5-20-9-7-14-11(20)10-19(4)8-6-13(2,3)12-15-17-18-16-12/h7,9H,5-6,8,10H2,1-4H3,(H,15,16,17,18)
InChIKeyJOYFWOXODLOGEB-UHFFFAOYSA-N
MW277.38 g/mol
LogP1.22
Rot. Bonds7

About N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine

N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine (PubChem CID 155962206) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine
PubChem CID155962206
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine
SMILESCCn1ccnc1CN(C)CCC(C)(C)c1nn[nH]n1
InChIInChI=1S/C13H23N7/c1-5-20-9-7-14-11(20)10-19(4)8-6-13(2,3)12-15-17-18-16-12/h7,9H,5-6,8,10H2,1-4H3,(H,15,16,17,18)
InChIKeyJOYFWOXODLOGEB-UHFFFAOYSA-N
XLogP1.22
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266168
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
CID 140833519
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 77095899
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
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3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
8-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 167948148
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
CID 62735874
1-(2-cyclohexylethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
CID 56742880
methyl 4-[6-azaspiro[2.5]octan-2-yl-[(1-ethylimidazol-2-yl)methyl]amino]-2,2-dimethylbutanoate;hydrochloride
CID 120845299
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine (CID 155962206) is N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine is CCn1ccnc1CN(C)CCC(C)(C)c1nn[nH]n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine?
The InChIKey is JOYFWOXODLOGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-5-20-9-7-14-11(20)10-19(4)8-6-13(2,3)12-15-17-18-16-12/h7,9H,5-6,8,10H2,1-4H3,(H,15,16,17,18).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 155962206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).