1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine

C5H11N3 — CID 13363489

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine
SMILESCNCC1=NCCN1
InChIInChI=1S/C5H11N3/c1-6-4-5-7-2-3-8-5/h6H,2-4H2,1H3,(H,7,8)
InChIKeyFEUXTDIAEKGEBP-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.79
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine

1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine (PubChem CID 13363489) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine
PubChem CID13363489
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine
SMILESCNCC1=NCCN1
InChIInChI=1S/C5H11N3/c1-6-4-5-7-2-3-8-5/h6H,2-4H2,1H3,(H,7,8)
InChIKeyFEUXTDIAEKGEBP-UHFFFAOYSA-N
XLogP-0.79
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylimidazoline
CID 10798
2-Imidazoline, 2-ethyl-
CID 13590
2-Imidazoline, 2-propyl-
CID 27291
2-Butyl-2-imidazoline
CID 25284
1H-Imidazole, 2-ethyl-4,5-dihydro-5-methyl-
CID 13604
1H-Imidazole, 4,5-dihydro-2,5-dimethyl-
CID 102522
2,2'-Biimidazoline
CID 221164
(4,5-dihydro-1H-imidazol-2-yl)methanamine dihydrochloride
CID 12621845
2-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 246524
2-Isopropyl-4,5-dihydro-1H-imidazole
CID 535189
4,5-Dihydro-1H-imidazol-2-ylmethanamine
CID 426583
2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 1715062

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine (CID 13363489) is 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine is CNCC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine?
The InChIKey is FEUXTDIAEKGEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-6-4-5-7-2-3-8-5/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine?
1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 13363489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).