1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine

C14H24N4 — CID 131659363

IUPAC1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(CC2CC2)Cc2nccn2C1
InChIInChI=1S/C14H24N4/c1-16(2)7-13-9-17(8-12-3-4-12)11-14-15-5-6-18(14)10-13/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyRJYKWIKFRHPLFY-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.29
Rot. Bonds4

About 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine

1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine (PubChem CID 131659363) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
PubChem CID131659363
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(CC2CC2)Cc2nccn2C1
InChIInChI=1S/C14H24N4/c1-16(2)7-13-9-17(8-12-3-4-12)11-14-15-5-6-18(14)10-13/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyRJYKWIKFRHPLFY-UHFFFAOYSA-N
XLogP1.29
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-Butyl-2,3-dimethylimidazolium chloride
CID 2734167
1-Butyl-2-methyl-1H-imidazole
CID 304622
1-Butyl-2,3-dimethylimidazolium bromide
CID 2734241
1-(Cyclopropylmethyl)-1H-imidazole
CID 44345498
1-Butyl-2,3-dimethylimidazolium iodide
CID 11832800
1-Isobutyl-2-methylimidazole~
CID 22055170
1-Butyl-2,3-dimethylimidazolium
CID 2734168
1-(cyclopropylmethyl)-4-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-isopropyl-1,4-diazepane
CID 56870229
8-Methylsulfonyl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739165
8-(Cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118745157
4-[[8-(Cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 118746954
8-(Cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118747223

Frequently Asked Questions

What is the IUPAC name of 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine (CID 131659363) is 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(CC2CC2)Cc2nccn2C1.
What is the InChIKey of 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is RJYKWIKFRHPLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-16(2)7-13-9-17(8-12-3-4-12)11-14-15-5-6-18(14)10-13/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 131659363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).