N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine

C13H22N4 — CID 79354500

IUPACN-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H22N4/c1-4-17(7-10(2)3)8-11-5-12-13(6-14-11)16-9-15-12/h9,11,14H,2,4-8H2,1,3H3,(H,15,16)
InChIKeyWADIMQGLCRFHSD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.32
Rot. Bonds5

About N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine

N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine (PubChem CID 79354500) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine
PubChem CID79354500
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine
SMILESC=C(C)CN(CC)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H22N4/c1-4-17(7-10(2)3)8-11-5-12-13(6-14-11)16-9-15-12/h9,11,14H,2,4-8H2,1,3H3,(H,15,16)
InChIKeyWADIMQGLCRFHSD-UHFFFAOYSA-N
XLogP1.32
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine (CID 79354500) is N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine is C=C(C)CN(CC)CC1Cc2nc[nH]c2CN1.
What is the InChIKey of N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine?
The InChIKey is WADIMQGLCRFHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-17(7-10(2)3)8-11-5-12-13(6-14-11)16-9-15-12/h9,11,14H,2,4-8H2,1,3H3,(H,15,16).
What are the key properties of N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine?
N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 79354500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).