N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine

C13H21N5 — CID 131916831

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCc1nccn1CCC(C)NCCc1ncc[nH]1
InChIInChI=1S/C13H21N5/c1-11(4-9-18-10-8-15-12(18)2)14-5-3-13-16-6-7-17-13/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyKNZZNSHRQKBIEN-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine

N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine (PubChem CID 131916831) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
PubChem CID131916831
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCc1nccn1CCC(C)NCCc1ncc[nH]1
InChIInChI=1S/C13H21N5/c1-11(4-9-18-10-8-15-12(18)2)14-5-3-13-16-6-7-17-13/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyKNZZNSHRQKBIEN-UHFFFAOYSA-N
XLogP1.53
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylimidazol-1-yl)ethylamino]propan-1-ol
CID 61493788
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
CID 125434938
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
CID 122555876
N-[2-[2-(1H-imidazol-2-yl)ethylamino]propyl]ethanesulfonamide
CID 122564866
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
N-[(2R)-2-[2-(1H-imidazol-2-yl)ethylamino]propyl]cyclopropanesulfonamide
CID 125441934
N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
CID 67833845
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine (CID 131916831) is N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine is Cc1nccn1CCC(C)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The InChIKey is KNZZNSHRQKBIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11(4-9-18-10-8-15-12(18)2)14-5-3-13-16-6-7-17-13/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-4-(2-methylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 131916831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).