N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine

C15H26N4O — CID 97466962

IUPACN,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
SMILESCN(C)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2
InChIInChI=1S/C15H26N4O/c1-17(2)11-14-9-16-15-3-5-18(6-7-19(14)15)10-13-4-8-20-12-13/h9,13H,3-8,10-12H2,1-2H3/t13-/m0/s1
InChIKeyGTPIUPYBZBJXOC-ZDUSSCGKSA-N
MW278.40 g/mol
LogP0.84
Rot. Bonds4

About N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine

N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine (PubChem CID 97466962) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
PubChem CID97466962
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
SMILESCN(C)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2
InChIInChI=1S/C15H26N4O/c1-17(2)11-14-9-16-15-3-5-18(6-7-19(14)15)10-13-4-8-20-12-13/h9,13H,3-8,10-12H2,1-2H3/t13-/m0/s1
InChIKeyGTPIUPYBZBJXOC-ZDUSSCGKSA-N
XLogP0.84
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97390179
7-(Oxan-4-yl)-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 97467018
Oxan-4-yl-[3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467022
4-[[7-(Oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
CID 118739063
N-ethyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
CID 118739065
7-(Oxolan-3-yl)-3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 118745773
2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine
CID 95558457
N-methyl-N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840482
7-(Oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155843098
8-(2-methyl-2-morpholin-4-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56914194
1-(1,2-dimethyl-1H-imidazol-5-yl)-N-[(1-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 90651072
2-[(8-Methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131648100

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine (CID 97466962) is N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine is CN(C)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2.
What is the InChIKey of N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
The InChIKey is GTPIUPYBZBJXOC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O/c1-17(2)11-14-9-16-15-3-5-18(6-7-19(14)15)10-13-4-8-20-12-13/h9,13H,3-8,10-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine is sourced from PubChem (CID 97466962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).