2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine

C13H27NO — CID 62354223

IUPAC2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)OC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-4-14-11-13(2,3)15-12-9-7-5-6-8-10-12/h12,14H,4-11H2,1-3H3
InChIKeyPYBLXKQNPJMQIR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds5

About 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine

2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine (PubChem CID 62354223) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine
PubChem CID62354223
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)(C)OC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-4-14-11-13(2,3)15-12-9-7-5-6-8-10-12/h12,14H,4-11H2,1-3H3
InChIKeyPYBLXKQNPJMQIR-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine (CID 62354223) is 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine is CCNCC(C)(C)OC1CCCCCC1.
What is the InChIKey of 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine?
The InChIKey is PYBLXKQNPJMQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-11-13(2,3)15-12-9-7-5-6-8-10-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine?
2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 62354223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).