1-methyl-2-(2-methylpropyl)azepane

C11H23N — CID 130636029

IUPAC1-methyl-2-(2-methylpropyl)azepane
SMILESCC(C)CC1CCCCCN1C
InChIInChI=1S/C11H23N/c1-10(2)9-11-7-5-4-6-8-12(11)3/h10-11H,4-9H2,1-3H3
InChIKeyRGABGVGYFQOCQA-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds2

About 1-methyl-2-(2-methylpropyl)azepane

1-methyl-2-(2-methylpropyl)azepane (PubChem CID 130636029) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)azepane.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)azepane
PubChem CID130636029
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-methyl-2-(2-methylpropyl)azepane
SMILESCC(C)CC1CCCCCN1C
InChIInChI=1S/C11H23N/c1-10(2)9-11-7-5-4-6-8-12(11)3/h10-11H,4-9H2,1-3H3
InChIKeyRGABGVGYFQOCQA-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N-chloro-2-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 87371691
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
CID 161134297
2-[2-cyclohexyl-2-(4-methylcyclohexyl)ethyl]-1-methylpiperidine;sulfane
CID 157232645
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)azepane?
The IUPAC name of 1-methyl-2-(2-methylpropyl)azepane (CID 130636029) is 1-methyl-2-(2-methylpropyl)azepane.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)azepane?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)azepane is CC(C)CC1CCCCCN1C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)azepane?
The InChIKey is RGABGVGYFQOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)9-11-7-5-4-6-8-12(11)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)azepane?
1-methyl-2-(2-methylpropyl)azepane has a molecular weight of 169.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)azepane is sourced from PubChem (CID 130636029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).