N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine

C11H24ClNO — CID 65024506

IUPACN-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine
SMILESCCCCOCCNC(C)(CC)CCl
InChIInChI=1S/C11H24ClNO/c1-4-6-8-14-9-7-13-11(3,5-2)10-12/h13H,4-10H2,1-3H3
InChIKeySTPXUYACQAMQNN-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.80
Rot. Bonds9

About N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine

N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine (PubChem CID 65024506) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine
PubChem CID65024506
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine
SMILESCCCCOCCNC(C)(CC)CCl
InChIInChI=1S/C11H24ClNO/c1-4-6-8-14-9-7-13-11(3,5-2)10-12/h13H,4-10H2,1-3H3
InChIKeySTPXUYACQAMQNN-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine?
The IUPAC name of N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine (CID 65024506) is N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine is CCCCOCCNC(C)(CC)CCl.
What is the InChIKey of N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine?
The InChIKey is STPXUYACQAMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-4-6-8-14-9-7-13-11(3,5-2)10-12/h13H,4-10H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine?
N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine has a molecular weight of 221.77 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1-chloro-2-methylbutan-2-amine is sourced from PubChem (CID 65024506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).