7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine

C14H26N2 — CID 164856300

IUPAC7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine
SMILESCCCC1=NCC(C)(CCC)C=C(CC)N1
InChIInChI=1S/C14H26N2/c1-5-8-13-15-11-14(4,9-6-2)10-12(7-3)16-13/h10H,5-9,11H2,1-4H3,(H,15,16)
InChIKeyYUVCRWDTOHKUBI-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.89
Rot. Bonds5

About 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine

7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine (PubChem CID 164856300) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine.

Molecular Properties

Compound Name7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine
PubChem CID164856300
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine
SMILESCCCC1=NCC(C)(CCC)C=C(CC)N1
InChIInChI=1S/C14H26N2/c1-5-8-13-15-11-14(4,9-6-2)10-12(7-3)16-13/h10H,5-9,11H2,1-4H3,(H,15,16)
InChIKeyYUVCRWDTOHKUBI-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 20692444
2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 22886478
(5Z)-4,7-ditert-butyl-5-ethylidene-2-methyl-1,4-dihydro-1,3-diazepine
CID 123273723
N-[(E)-4-(aminomethyl)-4-ethylhex-2-en-2-yl]-2-methyl-N'-propylpropanimidamide
CID 123959851
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887
N,4,4,6-tetramethyl-1,3-dihydropyridin-2-imine
CID 135601357
3-ethyl-N,4,6-trimethyl-3,4-dihydro-1H-pyridin-2-imine
CID 137119405
N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
2-Tert-butyl-6,6,8-trimethyl-2,3,4,9-tetrahydropyrido[2,3-b]azepine
CID 142101442
8-methyl-3,4,4a,9-tetrahydro-2H-pyrido[2,3-b]azepine
CID 143224706
3,3-dimethyl-N-prop-1-en-2-yl-4,5-dihydro-2H-pyridin-6-amine
CID 146561685
6-methyl-N-(2-methylpropyl)-3,4-dihydro-1H-pyridin-2-imine
CID 156227203

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine?
The IUPAC name of 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine (CID 164856300) is 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine.
What is the SMILES notation for 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine?
The canonical SMILES for 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine is CCCC1=NCC(C)(CCC)C=C(CC)N1.
What is the InChIKey of 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine?
The InChIKey is YUVCRWDTOHKUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-8-13-15-11-14(4,9-6-2)10-12(7-3)16-13/h10H,5-9,11H2,1-4H3,(H,15,16).
What are the key properties of 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine?
7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine has a molecular weight of 222.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-methyl-2,5-dipropyl-1,4-dihydro-1,3-diazepine is sourced from PubChem (CID 164856300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).