2-methyl-1-propan-2-ylazepane

C10H21N — CID 66910895

IUPAC2-methyl-1-propan-2-ylazepane
SMILESCC(C)N1CCCCCC1C
InChIInChI=1S/C10H21N/c1-9(2)11-8-6-4-5-7-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyTUOHBGGXRBLFGX-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds1

About 2-methyl-1-propan-2-ylazepane

2-methyl-1-propan-2-ylazepane (PubChem CID 66910895) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylazepane
PubChem CID66910895
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methyl-1-propan-2-ylazepane
SMILESCC(C)N1CCCCCC1C
InChIInChI=1S/C10H21N/c1-9(2)11-8-6-4-5-7-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyTUOHBGGXRBLFGX-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylazepane?
The IUPAC name of 2-methyl-1-propan-2-ylazepane (CID 66910895) is 2-methyl-1-propan-2-ylazepane.
What is the SMILES notation for 2-methyl-1-propan-2-ylazepane?
The canonical SMILES for 2-methyl-1-propan-2-ylazepane is CC(C)N1CCCCCC1C.
What is the InChIKey of 2-methyl-1-propan-2-ylazepane?
The InChIKey is TUOHBGGXRBLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)11-8-6-4-5-7-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylazepane?
2-methyl-1-propan-2-ylazepane has a molecular weight of 155.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylazepane is sourced from PubChem (CID 66910895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).