4-butan-2-yloxy-N-methylbutan-1-amine

C9H21NO — CID 62453455

IUPAC4-butan-2-yloxy-N-methylbutan-1-amine
SMILESCCC(C)OCCCCNC
InChIInChI=1S/C9H21NO/c1-4-9(2)11-8-6-5-7-10-3/h9-10H,4-8H2,1-3H3
InChIKeySLOFZERQORHLMA-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds7

About 4-butan-2-yloxy-N-methylbutan-1-amine

4-butan-2-yloxy-N-methylbutan-1-amine (PubChem CID 62453455) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-butan-2-yloxy-N-methylbutan-1-amine
PubChem CID62453455
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-butan-2-yloxy-N-methylbutan-1-amine
SMILESCCC(C)OCCCCNC
InChIInChI=1S/C9H21NO/c1-4-9(2)11-8-6-5-7-10-3/h9-10H,4-8H2,1-3H3
InChIKeySLOFZERQORHLMA-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
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-butan-2-yloxy-N-methylbutan-1-amine?
The IUPAC name of 4-butan-2-yloxy-N-methylbutan-1-amine (CID 62453455) is 4-butan-2-yloxy-N-methylbutan-1-amine.
What is the SMILES notation for 4-butan-2-yloxy-N-methylbutan-1-amine?
The canonical SMILES for 4-butan-2-yloxy-N-methylbutan-1-amine is CCC(C)OCCCCNC.
What is the InChIKey of 4-butan-2-yloxy-N-methylbutan-1-amine?
The InChIKey is SLOFZERQORHLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(2)11-8-6-5-7-10-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-N-methylbutan-1-amine?
4-butan-2-yloxy-N-methylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-methylbutan-1-amine is sourced from PubChem (CID 62453455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).