N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

C19H25N3O — CID 97080020

IUPACN-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESc1ccc(OCC2CC2)c(CNC[C@H]2CCCn3ccnc32)c1
InChIInChI=1S/C19H25N3O/c1-2-6-18(23-14-15-7-8-15)16(4-1)12-20-13-17-5-3-10-22-11-9-21-19(17)22/h1-2,4,6,9,11,15,17,20H,3,5,7-8,10,12-14H2/t17-/m1/s1
InChIKeyQSKRNQVEWHAWAB-QGZVFWFLSA-N
MW311.43 g/mol
LogP3.34
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97080020) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID97080020
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESc1ccc(OCC2CC2)c(CNC[C@H]2CCCn3ccnc32)c1
InChIInChI=1S/C19H25N3O/c1-2-6-18(23-14-15-7-8-15)16(4-1)12-20-13-17-5-3-10-22-11-9-21-19(17)22/h1-2,4,6,9,11,15,17,20H,3,5,7-8,10,12-14H2/t17-/m1/s1
InChIKeyQSKRNQVEWHAWAB-QGZVFWFLSA-N
XLogP3.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97019097
1,5-dimethyl-4-[[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]pyrrole-2-carbonitrile
CID 97002158
N-[(3-methylfuran-2-yl)methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073207
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97029724
N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929231
(2R)-4-phenyl-N-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]butan-2-amine
CID 97087066
N-methyl-2-[2-[[[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]phenoxy]acetamide
CID 97008057
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929197
N-[[1-(3-methylbutyl)pyrrol-2-yl]methyl]-1-[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97014505
N-methyl-4-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]benzamide
CID 71929221
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929200
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929168

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97080020) is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is c1ccc(OCC2CC2)c(CNC[C@H]2CCCn3ccnc32)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is QSKRNQVEWHAWAB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-2-6-18(23-14-15-7-8-15)16(4-1)12-20-13-17-5-3-10-22-11-9-21-19(17)22/h1-2,4,6,9,11,15,17,20H,3,5,7-8,10,12-14H2/t17-/m1/s1.
What are the key properties of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97080020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).