N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine

C12H22N4 — CID 107501173

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2cn(CCN)cn2)CCC1
InChIInChI=1S/C12H22N4/c1-2-12(4-3-5-12)15-8-11-9-16(7-6-13)10-14-11/h9-10,15H,2-8,13H2,1H3
InChIKeyZFPSQCDMMVHMLY-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.26
Rot. Bonds6

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine (PubChem CID 107501173) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
PubChem CID107501173
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2cn(CCN)cn2)CCC1
InChIInChI=1S/C12H22N4/c1-2-12(4-3-5-12)15-8-11-9-16(7-6-13)10-14-11/h9-10,15H,2-8,13H2,1H3
InChIKeyZFPSQCDMMVHMLY-UHFFFAOYSA-N
XLogP1.26
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107501221
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
CID 107815854
2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500889
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3,3,3-trifluoropropan-1-amine
CID 107500936
1-(2-aminoethyl)imidazol-4-amine
CID 96848259
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
CID 107815637
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
CID 107501214
(1-butylimidazol-4-yl)methanamine
CID 82467842
[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
CID 106718060
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114096334

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine (CID 107501173) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine is CCC1(NCc2cn(CCN)cn2)CCC1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is ZFPSQCDMMVHMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-12(4-3-5-12)15-8-11-9-16(7-6-13)10-14-11/h9-10,15H,2-8,13H2,1H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 107501173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).