5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine

C12H26ClNO — CID 107319913

IUPAC5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCC(C)CCOCCNCCCCCCl
InChIInChI=1S/C12H26ClNO/c1-12(2)6-10-15-11-9-14-8-5-3-4-7-13/h12,14H,3-11H2,1-2H3
InChIKeyLNOPAUNYKILWFD-UHFFFAOYSA-N
MW235.80 g/mol
LogP3.05
Rot. Bonds11

About 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine

5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine (PubChem CID 107319913) has the molecular formula C12H26ClNO and a molecular weight of 235.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
PubChem CID107319913
Molecular FormulaC12H26ClNO
Molecular Weight235.80 g/mol
Exact Mass235.17
IUPAC Name5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
SMILESCC(C)CCOCCNCCCCCCl
InChIInChI=1S/C12H26ClNO/c1-12(2)6-10-15-11-9-14-8-5-3-4-7-13/h12,14H,3-11H2,1-2H3
InChIKeyLNOPAUNYKILWFD-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 53.05
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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Related Compounds

N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
N-[2-(2-chloroethoxy)ethyl]-3-methylbutan-1-amine
CID 65024429
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
(E)-4-chloro-N-[2-(3-methylbutoxy)ethyl]but-2-en-1-amine
CID 81429272
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
N-(3-chloropropyl)-3-methylbutan-1-amine
CID 60668752
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
CID 57194554
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine (CID 107319913) is 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine is CC(C)CCOCCNCCCCCCl.
What is the InChIKey of 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
The InChIKey is LNOPAUNYKILWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNO/c1-12(2)6-10-15-11-9-14-8-5-3-4-7-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine?
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine has a molecular weight of 235.80 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 107319913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).