N-[2-(3-methylbutoxy)ethyl]butan-1-amine

C11H25NO — CID 61483624

IUPACN-[2-(3-methylbutoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCC(C)C
InChIInChI=1S/C11H25NO/c1-4-5-7-12-8-10-13-9-6-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyOFPHFSDFIQIRSQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds9

About N-[2-(3-methylbutoxy)ethyl]butan-1-amine

N-[2-(3-methylbutoxy)ethyl]butan-1-amine (PubChem CID 61483624) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]butan-1-amine
PubChem CID61483624
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-[2-(3-methylbutoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCCC(C)C
InChIInChI=1S/C11H25NO/c1-4-5-7-12-8-10-13-9-6-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyOFPHFSDFIQIRSQ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
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 N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]butan-1-amine (CID 61483624) is N-[2-(3-methylbutoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]butan-1-amine is CCCCNCCOCCC(C)C.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The InChIKey is OFPHFSDFIQIRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-7-12-8-10-13-9-6-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
N-[2-(3-methylbutoxy)ethyl]butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]butan-1-amine is sourced from PubChem (CID 61483624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).