2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine

C14H26N2 — CID 123783798

IUPAC2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine
SMILESCCCCC(CC)C1=CN(C)C(C)CC=N1
InChIInChI=1S/C14H26N2/c1-5-7-8-13(6-2)14-11-16(4)12(3)9-10-15-14/h10-13H,5-9H2,1-4H3
InChIKeyMGNGVODFUGKEIU-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.84
Rot. Bonds5

About 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine

2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine (PubChem CID 123783798) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine.

Molecular Properties

Compound Name2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine
PubChem CID123783798
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine
SMILESCCCCC(CC)C1=CN(C)C(C)CC=N1
InChIInChI=1S/C14H26N2/c1-5-7-8-13(6-2)14-11-16(4)12(3)9-10-15-14/h10-13H,5-9H2,1-4H3
InChIKeyMGNGVODFUGKEIU-UHFFFAOYSA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123416280
N,N,3-triethyl-3,4-dihydropyridin-5-amine
CID 123613286
N-methyl-5-(methyliminomethyl)-N-propylhept-1-en-2-amine
CID 123731062
methyl-[5-methyl-2-[methyl-[(Z)-prop-1-enyl]amino]oct-1-en-4-yl]-prop-2-enylideneazanium
CID 170367442
6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine
CID 174268156

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine?
The IUPAC name of 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine (CID 123783798) is 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine.
What is the SMILES notation for 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine?
The canonical SMILES for 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine is CCCCC(CC)C1=CN(C)C(C)CC=N1.
What is the InChIKey of 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine?
The InChIKey is MGNGVODFUGKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-7-8-13(6-2)14-11-16(4)12(3)9-10-15-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine?
2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine has a molecular weight of 222.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-4,5-dimethyl-5,6-dihydro-1,4-diazepine is sourced from PubChem (CID 123783798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).