2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine

C14H21N — CID 14903383

IUPAC2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
SMILESCN1CCCCCCc2ccccc2C1
InChIInChI=1S/C14H21N/c1-15-11-7-3-2-4-8-13-9-5-6-10-14(13)12-15/h5-6,9-10H,2-4,7-8,11-12H2,1H3
InChIKeyNMVVFINEDSAXPQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.23
Rot. Bonds

About 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine

2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine (PubChem CID 14903383) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine.

Molecular Properties

Compound Name2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
PubChem CID14903383
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
SMILESCN1CCCCCCc2ccccc2C1
InChIInChI=1S/C14H21N/c1-15-11-7-3-2-4-8-13-9-5-6-10-14(13)12-15/h5-6,9-10H,2-4,7-8,11-12H2,1H3
InChIKeyNMVVFINEDSAXPQ-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine?
The IUPAC name of 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine (CID 14903383) is 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine.
What is the SMILES notation for 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine?
The canonical SMILES for 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine is CN1CCCCCCc2ccccc2C1.
What is the InChIKey of 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine?
The InChIKey is NMVVFINEDSAXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-15-11-7-3-2-4-8-13-9-5-6-10-14(13)12-15/h5-6,9-10H,2-4,7-8,11-12H2,1H3.
What are the key properties of 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine?
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine has a molecular weight of 203.33 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine is sourced from PubChem (CID 14903383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).