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

C16H28N4 — CID 134076042

IUPACN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CN(CC2CC2)Cc2nccn2C1
InChIInChI=1S/C16H28N4/c1-13(2)18(3)8-15-10-19(9-14-4-5-14)12-16-17-6-7-20(16)11-15/h6-7,13-15H,4-5,8-12H2,1-3H3
InChIKeyTWVMKPHKIULCNX-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.07
Rot. Bonds5

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

N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine (PubChem CID 134076042) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine
PubChem CID134076042
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CN(CC2CC2)Cc2nccn2C1
InChIInChI=1S/C16H28N4/c1-13(2)18(3)8-15-10-19(9-14-4-5-14)12-16-17-6-7-20(16)11-15/h6-7,13-15H,4-5,8-12H2,1-3H3
InChIKeyTWVMKPHKIULCNX-UHFFFAOYSA-N
XLogP2.07
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(cyclopropylmethyl)-3-isopropyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4-diazepan-5-one
CID 56865566
1-(cyclopropylmethyl)-4-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-isopropyl-1,4-diazepane
CID 56870229
4-(cyclopropylmethyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-3-isopropyl-1,4-diazepan-5-one
CID 56873299
8-(Cyclopropylmethyl)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118745157
8-(Cyclopropylmethyl)-6-[(4-methylpiperazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118747223
(2-azepan-1-ylethyl)ethyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 46982644
1-Cyclopentyl-4-(3-imidazol-1-ylpropyl)-1,4-diazepane
CID 86782337
(3-azepan-1-ylpropyl)[(1-isopropyl-1H-imidazol-2-yl)methyl]methylamine
CID 91761698
(9S)-8-(2-methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 164636420
1-[4-(2-cyclopropyl-1H-imidazol-1-yl)butyl]azepane
CID 56871739
8-(2-Methylpropyl)-9-[1-(2-methylpropyl)piperidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 124052502
1-[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 131659363

Frequently Asked Questions

What is the IUPAC name of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine (CID 134076042) is N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)CC1CN(CC2CC2)Cc2nccn2C1.
What is the InChIKey of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is TWVMKPHKIULCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)18(3)8-15-10-19(9-14-4-5-14)12-16-17-6-7-20(16)11-15/h6-7,13-15H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine?
N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 134076042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).