N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine

C6H13N3 — CID 22318577

IUPACN-(1,2-dihydroimidazol-3-ylmethyl)ethanamine
SMILESCCNCN1C=CNC1
InChIInChI=1S/C6H13N3/c1-2-7-5-9-4-3-8-6-9/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBTPURLPKFJIFLY-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.11
Rot. Bonds3

About N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine

N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine (PubChem CID 22318577) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,2-dihydroimidazol-3-ylmethyl)ethanamine
PubChem CID22318577
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-(1,2-dihydroimidazol-3-ylmethyl)ethanamine
SMILESCCNCN1C=CNC1
InChIInChI=1S/C6H13N3/c1-2-7-5-9-4-3-8-6-9/h3-4,7-8H,2,5-6H2,1H3
InChIKeyBTPURLPKFJIFLY-UHFFFAOYSA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1 h-imidazole
CID 5254862
1H-Imidazole, 2,3-dihydro-2-methyl-
CID 10165410
3-Methyl-1,2-dihydroimidazol-2-amine
CID 44330796
2-Fluoro-3-methyl-1,2-dihydroimidazole
CID 44330797
2-ethyl-2,3-dihydro-1H-imidazole
CID 44330841
1-Ethyl-3-methyl-1h-imidazolium tetrafluoro-borate
CID 22245520
1,3-Dimethyl-1H-imidazolium iodide
CID 23618276
Propyldihydroimidazole
CID 66765033
1H-Imidazolium, 1-ethyl-3-methyl-, chloride
CID 66822491
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
3,5-Diaza-1-heptene
CID 129742235
3-(2-Aminoethyl)-1-vinylimidazole
CID 168152195

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine?
The IUPAC name of N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine (CID 22318577) is N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine?
The canonical SMILES for N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine is CCNCN1C=CNC1.
What is the InChIKey of N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine?
The InChIKey is BTPURLPKFJIFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-7-5-9-4-3-8-6-9/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine?
N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine has a molecular weight of 127.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 22318577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).