2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine

C12H26ClNO — CID 106286279

IUPAC2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine
SMILESCCC(CC)C(Cl)CNC(C)CCOC
InChIInChI=1S/C12H26ClNO/c1-5-11(6-2)12(13)9-14-10(3)7-8-15-4/h10-12,14H,5-9H2,1-4H3
InChIKeyKGACTOOQWMQAOC-UHFFFAOYSA-N
MW235.80 g/mol
LogP3.04
Rot. Bonds9

About 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine

2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine (PubChem CID 106286279) has the molecular formula C12H26ClNO and a molecular weight of 235.80 g/mol. Its IUPAC name is 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine
PubChem CID106286279
Molecular FormulaC12H26ClNO
Molecular Weight235.80 g/mol
Exact Mass235.17
IUPAC Name2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine
SMILESCCC(CC)C(Cl)CNC(C)CCOC
InChIInChI=1S/C12H26ClNO/c1-5-11(6-2)12(13)9-14-10(3)7-8-15-4/h10-12,14H,5-9H2,1-4H3
InChIKeyKGACTOOQWMQAOC-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine?
The IUPAC name of 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine (CID 106286279) is 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine?
The canonical SMILES for 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine is CCC(CC)C(Cl)CNC(C)CCOC.
What is the InChIKey of 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine?
The InChIKey is KGACTOOQWMQAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNO/c1-5-11(6-2)12(13)9-14-10(3)7-8-15-4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine?
2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine has a molecular weight of 235.80 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-N-(4-methoxybutan-2-yl)pentan-1-amine is sourced from PubChem (CID 106286279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).