2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine

C13H23N3O — CID 11160742

IUPAC2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine
SMILESCCOC1=NC=CCC(N(C(C)C)C(C)C)=N1
InChIInChI=1S/C13H23N3O/c1-6-17-13-14-9-7-8-12(15-13)16(10(2)3)11(4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyMLIRVUBRMHYSLY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.81
Rot. Bonds3

About 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine

2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine (PubChem CID 11160742) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine.

Molecular Properties

Compound Name2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine
PubChem CID11160742
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine
SMILESCCOC1=NC=CCC(N(C(C)C)C(C)C)=N1
InChIInChI=1S/C13H23N3O/c1-6-17-13-14-9-7-8-12(15-13)16(10(2)3)11(4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyMLIRVUBRMHYSLY-UHFFFAOYSA-N
XLogP2.81
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-7-propan-2-yl-4H-azepin-6-ol
CID 143740822
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
ethene;2-propan-2-yl-3H-pyrrole
CID 142624380
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
CID 55124321
4-[2-[di(propan-2-yl)amino]ethoxy]-6-ethoxypyrimidin-5-amine
CID 115505378
N-[1-(2-ethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097849
4-chloro-6-ethoxy-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62858043
lithium (2S)-3,6-diethoxy-2-propan-2-yl-2H-pyrazin-1-ide
CID 10998477
2-ethoxy-4-propan-2-yl-6-propylpyridine
CID 167036452
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
1-(5-ethoxypyrazin-2-yl)ethanamine
CID 118255855
N-(2-bromoethyl)-6-ethoxy-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80670688

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine?
The IUPAC name of 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine (CID 11160742) is 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine.
What is the SMILES notation for 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine?
The canonical SMILES for 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine is CCOC1=NC=CCC(N(C(C)C)C(C)C)=N1.
What is the InChIKey of 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine?
The InChIKey is MLIRVUBRMHYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-17-13-14-9-7-8-12(15-13)16(10(2)3)11(4)5/h7,9-11H,6,8H2,1-5H3.
What are the key properties of 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine?
2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine is sourced from PubChem (CID 11160742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).