N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine

C13H28ClNO2 — CID 103183958

IUPACN-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
SMILESCCC(CC)N(CCCl)CCOCCCOC
InChIInChI=1S/C13H28ClNO2/c1-4-13(5-2)15(8-7-14)9-12-17-11-6-10-16-3/h13H,4-12H2,1-3H3
InChIKeyMYXAHVNNDVYIEZ-UHFFFAOYSA-N
MW265.82 g/mol
LogP2.77
Rot. Bonds12

About N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine

N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine (PubChem CID 103183958) has the molecular formula C13H28ClNO2 and a molecular weight of 265.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
PubChem CID103183958
Molecular FormulaC13H28ClNO2
Molecular Weight265.82 g/mol
Exact Mass265.18
IUPAC NameN-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
SMILESCCC(CC)N(CCCl)CCOCCCOC
InChIInChI=1S/C13H28ClNO2/c1-4-13(5-2)15(8-7-14)9-12-17-11-6-10-16-3/h13H,4-12H2,1-3H3
InChIKeyMYXAHVNNDVYIEZ-UHFFFAOYSA-N
XLogP2.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.82
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 103413020
N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
CID 63387675
N-(2-chloroethyl)-N-[2-(2-methylpropoxy)ethyl]pentan-3-amine
CID 106457638
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077
N-(2-chloroethyl)-N-pentan-3-ylheptan-1-amine
CID 55184405
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 107489026
2-[2-(3-methoxypropoxy)ethyl-propan-2-ylamino]ethanol
CID 103182683
N-but-3-ynyl-N-(2-methoxyethyl)pentan-3-amine
CID 63657246

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine?
The IUPAC name of N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine (CID 103183958) is N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine?
The canonical SMILES for N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine is CCC(CC)N(CCCl)CCOCCCOC.
What is the InChIKey of N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine?
The InChIKey is MYXAHVNNDVYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO2/c1-4-13(5-2)15(8-7-14)9-12-17-11-6-10-16-3/h13H,4-12H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine?
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine has a molecular weight of 265.82 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine is sourced from PubChem (CID 103183958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).