ethane;2,3,4,5-tetrahydro-1H-2-benzazepine

C14H25N — CID 145125160

IUPACethane;2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC.CC.c1ccc2c(c1)CCCNC2
InChIInChI=1S/C10H13N.2C2H6/c1-2-5-10-8-11-7-3-6-9(10)4-1;2*1-2/h1-2,4-5,11H,3,6-8H2;2*1-2H3
InChIKeyKXEAISSUSSCUSM-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.77
Rot. Bonds

About ethane;2,3,4,5-tetrahydro-1H-2-benzazepine

ethane;2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 145125160) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Nameethane;2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID145125160
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCC.CC.c1ccc2c(c1)CCCNC2
InChIInChI=1S/C10H13N.2C2H6/c1-2-5-10-8-11-7-3-6-9(10)4-1;2*1-2/h1-2,4-5,11H,3,6-8H2;2*1-2H3
InChIKeyKXEAISSUSSCUSM-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67675496
1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 58285092
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
CID 175785291
3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
CID 15507128
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
benzene;2,3-dihydro-1H-isoindole
CID 161490745
azane;2,3-dihydro-1H-isoindole
CID 23342931
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of ethane;2,3,4,5-tetrahydro-1H-2-benzazepine (CID 145125160) is ethane;2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for ethane;2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for ethane;2,3,4,5-tetrahydro-1H-2-benzazepine is CC.CC.c1ccc2c(c1)CCCNC2.
What is the InChIKey of ethane;2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is KXEAISSUSSCUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-2-5-10-8-11-7-3-6-9(10)4-1;2*1-2/h1-2,4-5,11H,3,6-8H2;2*1-2H3.
What are the key properties of ethane;2,3,4,5-tetrahydro-1H-2-benzazepine?
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 207.36 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 145125160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).