1-ethyl-2-methyl-2-propan-2-ylazocane

C13H27N — CID 130400145

IUPAC1-ethyl-2-methyl-2-propan-2-ylazocane
SMILESCCN1CCCCCCC1(C)C(C)C
InChIInChI=1S/C13H27N/c1-5-14-11-9-7-6-8-10-13(14,4)12(2)3/h12H,5-11H2,1-4H3
InChIKeySRBIJLLFMGJTPF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds2

About 1-ethyl-2-methyl-2-propan-2-ylazocane

1-ethyl-2-methyl-2-propan-2-ylazocane (PubChem CID 130400145) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-ethyl-2-methyl-2-propan-2-ylazocane.

Molecular Properties

Compound Name1-ethyl-2-methyl-2-propan-2-ylazocane
PubChem CID130400145
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-ethyl-2-methyl-2-propan-2-ylazocane
SMILESCCN1CCCCCCC1(C)C(C)C
InChIInChI=1S/C13H27N/c1-5-14-11-9-7-6-8-10-13(14,4)12(2)3/h12H,5-11H2,1-4H3
InChIKeySRBIJLLFMGJTPF-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-2-propan-2-ylazocane?
The IUPAC name of 1-ethyl-2-methyl-2-propan-2-ylazocane (CID 130400145) is 1-ethyl-2-methyl-2-propan-2-ylazocane.
What is the SMILES notation for 1-ethyl-2-methyl-2-propan-2-ylazocane?
The canonical SMILES for 1-ethyl-2-methyl-2-propan-2-ylazocane is CCN1CCCCCCC1(C)C(C)C.
What is the InChIKey of 1-ethyl-2-methyl-2-propan-2-ylazocane?
The InChIKey is SRBIJLLFMGJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-14-11-9-7-6-8-10-13(14,4)12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-2-methyl-2-propan-2-ylazocane?
1-ethyl-2-methyl-2-propan-2-ylazocane has a molecular weight of 197.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-2-propan-2-ylazocane is sourced from PubChem (CID 130400145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).