N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine

C17H26N4O — CID 133139689

IUPACN-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
SMILESCCN(CC)CC1CN(Cc2ccoc2)Cc2nccn2C1
InChIInChI=1S/C17H26N4O/c1-3-19(4-2)10-16-11-20(9-15-5-8-22-14-15)13-17-18-6-7-21(17)12-16/h5-8,14,16H,3-4,9-13H2,1-2H3
InChIKeyVDRMIWUYWQADPF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.45
Rot. Bonds6

About N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine

N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine (PubChem CID 133139689) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
PubChem CID133139689
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
SMILESCCN(CC)CC1CN(Cc2ccoc2)Cc2nccn2C1
InChIInChI=1S/C17H26N4O/c1-3-19(4-2)10-16-11-20(9-15-5-8-22-14-15)13-17-18-6-7-21(17)12-16/h5-8,14,16H,3-4,9-13H2,1-2H3
InChIKeyVDRMIWUYWQADPF-UHFFFAOYSA-N
XLogP2.45
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine (CID 133139689) is N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine is CCN(CC)CC1CN(Cc2ccoc2)Cc2nccn2C1.
What is the InChIKey of N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
The InChIKey is VDRMIWUYWQADPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-19(4-2)10-16-11-20(9-15-5-8-22-14-15)13-17-18-6-7-21(17)12-16/h5-8,14,16H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine?
N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine has a molecular weight of 302.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine is sourced from PubChem (CID 133139689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).