N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine

C11H24ClNO — CID 63387675

IUPACN-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
SMILESCCC(CC)N(CCCl)CCCOC
InChIInChI=1S/C11H24ClNO/c1-4-11(5-2)13(9-7-12)8-6-10-14-3/h11H,4-10H2,1-3H3
InChIKeyBWFIHECMOJYWSO-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.75
Rot. Bonds9

About N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine

N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine (PubChem CID 63387675) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
PubChem CID63387675
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC NameN-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
SMILESCCC(CC)N(CCCl)CCCOC
InChIInChI=1S/C11H24ClNO/c1-4-11(5-2)13(9-7-12)8-6-10-14-3/h11H,4-10H2,1-3H3
InChIKeyBWFIHECMOJYWSO-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.75
H-Bond Donors ≤ 50
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-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine?
The IUPAC name of N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine (CID 63387675) is N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine is CCC(CC)N(CCCl)CCCOC.
What is the InChIKey of N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine?
The InChIKey is BWFIHECMOJYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-4-11(5-2)13(9-7-12)8-6-10-14-3/h11H,4-10H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine?
N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine has a molecular weight of 221.77 g/mol, XLogP of 2.75, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine is sourced from PubChem (CID 63387675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).