N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine

C20H30N4 — CID 95199331

IUPACN,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine
SMILESCc1ccc([C@H]2c3nc[nH]c3CCN2CC(C)(C)CN(C)C)cc1
InChIInChI=1S/C20H30N4/c1-15-6-8-16(9-7-15)19-18-17(21-14-22-18)10-11-24(19)13-20(2,3)12-23(4)5/h6-9,14,19H,10-13H2,1-5H3,(H,21,22)/t19-/m0/s1
InChIKeySMTNSLAAEMRSAV-IBGZPJMESA-N
MW326.49 g/mol
LogP3.25
Rot. Bonds5

About N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine

N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine (PubChem CID 95199331) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine
PubChem CID95199331
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC NameN,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine
SMILESCc1ccc([C@H]2c3nc[nH]c3CCN2CC(C)(C)CN(C)C)cc1
InChIInChI=1S/C20H30N4/c1-15-6-8-16(9-7-15)19-18-17(21-14-22-18)10-11-24(19)13-20(2,3)12-23(4)5/h6-9,14,19H,10-13H2,1-5H3,(H,21,22)/t19-/m0/s1
InChIKeySMTNSLAAEMRSAV-IBGZPJMESA-N
XLogP3.25
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95190130
5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56719547
3-[5-(2,2-dimethyl-3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]benzonitrile
CID 56886404
4-(3,4-dichlorophenyl)-5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56901709
4-(4-chlorophenyl)-5-(1H-pyrazol-5-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 167912628
2-tert-butyl-6-[[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 95208575
2-tert-butyl-6-[(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56714643
(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95198936
(4S)-5-(1H-imidazol-2-ylmethyl)-4-(4-pyrazol-1-ylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95545324
tert-butyl 4-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 57326111
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine (CID 95199331) is N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine is Cc1ccc([C@H]2c3nc[nH]c3CCN2CC(C)(C)CN(C)C)cc1.
What is the InChIKey of N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine?
The InChIKey is SMTNSLAAEMRSAV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N4/c1-15-6-8-16(9-7-15)19-18-17(21-14-22-18)10-11-24(19)13-20(2,3)12-23(4)5/h6-9,14,19H,10-13H2,1-5H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine?
N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine has a molecular weight of 326.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-[(4S)-4-(4-methylphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-amine is sourced from PubChem (CID 95199331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).