4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine

C12H27NO — CID 43207477

IUPAC4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine
SMILESCC(C)CC(C)NCCCOC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)9-12(5)13-7-6-8-14-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyTWSNJNKPSYOHIL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds8

About 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine

4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine (PubChem CID 43207477) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine
PubChem CID43207477
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine
SMILESCC(C)CC(C)NCCCOC(C)C
InChIInChI=1S/C12H27NO/c1-10(2)9-12(5)13-7-6-8-14-11(3)4/h10-13H,6-9H2,1-5H3
InChIKeyTWSNJNKPSYOHIL-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 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine (CID 43207477) is 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine is CC(C)CC(C)NCCCOC(C)C.
What is the InChIKey of 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine?
The InChIKey is TWSNJNKPSYOHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(2)9-12(5)13-7-6-8-14-11(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine?
4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-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 4-methyl-N-(3-propan-2-yloxypropyl)pentan-2-amine is sourced from PubChem (CID 43207477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).