4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine

C12H27NO — CID 102986841

IUPAC4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
SMILESCCCC(C)OCCCCNC(C)C
InChIInChI=1S/C12H27NO/c1-5-8-12(4)14-10-7-6-9-13-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyXVGIEXGYOARBFE-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds9

About 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine

4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine (PubChem CID 102986841) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
PubChem CID102986841
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
SMILESCCCC(C)OCCCCNC(C)C
InChIInChI=1S/C12H27NO/c1-5-8-12(4)14-10-7-6-9-13-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyXVGIEXGYOARBFE-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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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Related Compounds

4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
3-(2-butoxyethoxy)-N-propan-2-ylbutan-1-amine
CID 115002778
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
N-propan-2-ylicosan-1-amine
CID 87246132
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
N-propan-2-yl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82958196
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
1-hexan-2-yloxydecane
CID 57029724

Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine (CID 102986841) is 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine is CCCC(C)OCCCCNC(C)C.
What is the InChIKey of 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine?
The InChIKey is XVGIEXGYOARBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-12(4)14-10-7-6-9-13-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine?
4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102986841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).