5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine

C12H27NO — CID 65180754

IUPAC5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCCOCCCC(C)(C)CNC(C)C
InChIInChI=1S/C12H27NO/c1-6-14-9-7-8-12(4,5)10-13-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyWJOLNTFCMZDKCS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine

5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine (PubChem CID 65180754) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine
PubChem CID65180754
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCCOCCCC(C)(C)CNC(C)C
InChIInChI=1S/C12H27NO/c1-6-14-9-7-8-12(4,5)10-13-11(2)3/h11,13H,6-10H2,1-5H3
InChIKeyWJOLNTFCMZDKCS-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine (CID 65180754) is 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine is CCOCCCC(C)(C)CNC(C)C.
What is the InChIKey of 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine?
The InChIKey is WJOLNTFCMZDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-14-9-7-8-12(4,5)10-13-11(2)3/h11,13H,6-10H2,1-5H3.
What are the key properties of 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine?
5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).