2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine

C14H30N2O — CID 114218328

IUPAC2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine
SMILESCCC1CN(C(C)(CN)CC(C)C)CCCO1
InChIInChI=1S/C14H30N2O/c1-5-13-10-16(7-6-8-17-13)14(4,11-15)9-12(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyJDVQIAMPROREEJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine

2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine (PubChem CID 114218328) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine
PubChem CID114218328
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine
SMILESCCC1CN(C(C)(CN)CC(C)C)CCCO1
InChIInChI=1S/C14H30N2O/c1-5-13-10-16(7-6-8-17-13)14(4,11-15)9-12(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyJDVQIAMPROREEJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine?
The IUPAC name of 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine (CID 114218328) is 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine is CCC1CN(C(C)(CN)CC(C)C)CCCO1.
What is the InChIKey of 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine?
The InChIKey is JDVQIAMPROREEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-13-10-16(7-6-8-17-13)14(4,11-15)9-12(2)3/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine?
2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,4-oxazepan-4-yl)-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 114218328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).