(2R)-2-methylazepane

C7H15N — CID 55298852

IUPAC(2R)-2-methylazepane
SMILESC[C@@H]1CCCCCN1
InChIInChI=1S/C7H15N/c1-7-5-3-2-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyLGONGMXQDFYGKU-SSDOTTSWSA-N
MW113.20 g/mol
LogP1.54
Rot. Bonds

About (2R)-2-methylazepane

(2R)-2-methylazepane (PubChem CID 55298852) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (2R)-2-methylazepane.

Molecular Properties

Compound Name(2R)-2-methylazepane
PubChem CID55298852
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(2R)-2-methylazepane
SMILESC[C@@H]1CCCCCN1
InChIInChI=1S/C7H15N/c1-7-5-3-2-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyLGONGMXQDFYGKU-SSDOTTSWSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylazepane?
The IUPAC name of (2R)-2-methylazepane (CID 55298852) is (2R)-2-methylazepane.
What is the SMILES notation for (2R)-2-methylazepane?
The canonical SMILES for (2R)-2-methylazepane is C[C@@H]1CCCCCN1.
What is the InChIKey of (2R)-2-methylazepane?
The InChIKey is LGONGMXQDFYGKU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15N/c1-7-5-3-2-4-6-8-7/h7-8H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-methylazepane?
(2R)-2-methylazepane has a molecular weight of 113.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylazepane is sourced from PubChem (CID 55298852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).