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

C17H30N4O — CID 97466980

IUPACN-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2
InChIInChI=1S/C17H30N4O/c1-3-19(4-2)13-16-11-18-17-5-7-20(8-9-21(16)17)12-15-6-10-22-14-15/h11,15H,3-10,12-14H2,1-2H3/t15-/m0/s1
InChIKeyVTLZAYQCAMSRSF-HNNXBMFYSA-N
MW306.45 g/mol
LogP1.62
Rot. Bonds6

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

N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine (PubChem CID 97466980) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
PubChem CID97466980
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine
SMILESCCN(CC)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2
InChIInChI=1S/C17H30N4O/c1-3-19(4-2)13-16-11-18-17-5-7-20(8-9-21(16)17)12-15-6-10-22-14-15/h11,15H,3-10,12-14H2,1-2H3/t15-/m0/s1
InChIKeyVTLZAYQCAMSRSF-HNNXBMFYSA-N
XLogP1.62
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.62
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
2-[(8-Acetyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131644419
N-[[7-(oxolan-3-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
CID 131654045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine (CID 97466980) is N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine is CCN(CC)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2.
What is the InChIKey of N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
The InChIKey is VTLZAYQCAMSRSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-19(4-2)13-16-11-18-17-5-7-20(8-9-21(16)17)12-15-6-10-22-14-15/h11,15H,3-10,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine?
N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine has a molecular weight of 306.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[7-[[(3S)-oxolan-3-yl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine is sourced from PubChem (CID 97466980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).