N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine

C10H20ClNO — CID 106437554

IUPACN-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine
SMILESCCCCOCCNCC(C)=CCl
InChIInChI=1S/C10H20ClNO/c1-3-4-6-13-7-5-12-9-10(2)8-11/h8,12H,3-7,9H2,1-2H3
InChIKeyXIYROYRHQHDZDJ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.54
Rot. Bonds8

About N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine

N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine (PubChem CID 106437554) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine
PubChem CID106437554
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine
SMILESCCCCOCCNCC(C)=CCl
InChIInChI=1S/C10H20ClNO/c1-3-4-6-13-7-5-12-9-10(2)8-11/h8,12H,3-7,9H2,1-2H3
InChIKeyXIYROYRHQHDZDJ-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.54
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-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine?
The IUPAC name of N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine (CID 106437554) is N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine?
The canonical SMILES for N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine is CCCCOCCNCC(C)=CCl.
What is the InChIKey of N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine?
The InChIKey is XIYROYRHQHDZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-4-6-13-7-5-12-9-10(2)8-11/h8,12H,3-7,9H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine?
N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine has a molecular weight of 205.73 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-chloro-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106437554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).