N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine

C18H26N4 — CID 134069035

IUPACN,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
SMILESCc1ccc(CN2Cc3nccn3CC(CN(C)C)C2)cc1
InChIInChI=1S/C18H26N4/c1-15-4-6-16(7-5-15)11-21-12-17(10-20(2)3)13-22-9-8-19-18(22)14-21/h4-9,17H,10-14H2,1-3H3
InChIKeyVPRZAVYOLTXOIN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.39
Rot. Bonds4

About N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine

N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine (PubChem CID 134069035) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
PubChem CID134069035
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC NameN,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
SMILESCc1ccc(CN2Cc3nccn3CC(CN(C)C)C2)cc1
InChIInChI=1S/C18H26N4/c1-15-4-6-16(7-5-15)11-21-12-17(10-20(2)3)13-22-9-8-19-18(22)14-21/h4-9,17H,10-14H2,1-3H3
InChIKeyVPRZAVYOLTXOIN-UHFFFAOYSA-N
XLogP2.39
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(6R)-6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]benzonitrile
CID 97462652
1-[(6S)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 97381822
N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 133139689
(6S)-6-(methoxymethyl)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381732
N-methyl-2-(4-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)acetamide
CID 129006675
N-ethyl-N-[[(6R)-8-(thiophen-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 97462718
N-ethyl-N-[[(6S)-8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 97462723
6-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131642436
1-[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-ethoxyethanone
CID 118739501
1-[[(6S)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462867
[6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 131660494
[4-[[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]phenyl]methanol
CID 129343365

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine (CID 134069035) is N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine is Cc1ccc(CN2Cc3nccn3CC(CN(C)C)C2)cc1.
What is the InChIKey of N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
The InChIKey is VPRZAVYOLTXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-15-4-6-16(7-5-15)11-21-12-17(10-20(2)3)13-22-9-8-19-18(22)14-21/h4-9,17H,10-14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine?
N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine has a molecular weight of 298.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine is sourced from PubChem (CID 134069035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).