7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne

C14H22N2 — CID 176984949

IUPAC7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne
SMILESC#CC.CC1CCn2c(cnc2C(C)C)C1
InChIInChI=1S/C11H18N2.C3H4/c1-8(2)11-12-7-10-6-9(3)4-5-13(10)11;1-3-2/h7-9H,4-6H2,1-3H3;1H,2H3
InChIKeyYWYUPGRNSGOILU-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.23
Rot. Bonds1

About 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne

7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne (PubChem CID 176984949) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne.

Molecular Properties

Compound Name7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne
PubChem CID176984949
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne
SMILESC#CC.CC1CCn2c(cnc2C(C)C)C1
InChIInChI=1S/C11H18N2.C3H4/c1-8(2)11-12-7-10-6-9(3)4-5-13(10)11;1-3-2/h7-9H,4-6H2,1-3H3;1H,2H3
InChIKeyYWYUPGRNSGOILU-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-di(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 176984611
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83828068
3-(furan-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117151499
3-(1-ethylpyrrolidin-2-yl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117151326
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117151307
3-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117151255
2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117151384
methyl 3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
CID 117248559
7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-amine
CID 83865411
N,N,7-trimethyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-sulfonamide
CID 112552730
N,N,7-trimethyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 112552665
3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 84652453

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne?
The IUPAC name of 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne (CID 176984949) is 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne.
What is the SMILES notation for 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne?
The canonical SMILES for 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne is C#CC.CC1CCn2c(cnc2C(C)C)C1.
What is the InChIKey of 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne?
The InChIKey is YWYUPGRNSGOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C3H4/c1-8(2)11-12-7-10-6-9(3)4-5-13(10)11;1-3-2/h7-9H,4-6H2,1-3H3;1H,2H3.
What are the key properties of 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne?
7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne has a molecular weight of 218.34 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;prop-1-yne is sourced from PubChem (CID 176984949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).