1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine

C10H19N — CID 66910916

IUPAC1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine
SMILESCC(C)C1CCC=CN(C)C1
InChIInChI=1S/C10H19N/c1-9(2)10-6-4-5-7-11(3)8-10/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyFVSBVTISYFVVGQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.50
Rot. Bonds1

About 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine

1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine (PubChem CID 66910916) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine
PubChem CID66910916
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine
SMILESCC(C)C1CCC=CN(C)C1
InChIInChI=1S/C10H19N/c1-9(2)10-6-4-5-7-11(3)8-10/h5,7,9-10H,4,6,8H2,1-3H3
InChIKeyFVSBVTISYFVVGQ-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine?
The IUPAC name of 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine (CID 66910916) is 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine?
The canonical SMILES for 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine is CC(C)C1CCC=CN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine?
The InChIKey is FVSBVTISYFVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)10-6-4-5-7-11(3)8-10/h5,7,9-10H,4,6,8H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine?
1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine has a molecular weight of 153.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-2,3,4,5-tetrahydroazepine is sourced from PubChem (CID 66910916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).