5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine

C11H24ClNO2 — CID 61418354

IUPAC5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
SMILESCOCCN(CCCCCCl)CCOC
InChIInChI=1S/C11H24ClNO2/c1-14-10-8-13(9-11-15-2)7-5-3-4-6-12/h3-11H2,1-2H3
InChIKeyYPAYXDRYCYHZOE-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.99
Rot. Bonds11

About 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine

5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine (PubChem CID 61418354) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
PubChem CID61418354
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC Name5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
SMILESCOCCN(CCCCCCl)CCOC
InChIInChI=1S/C11H24ClNO2/c1-14-10-8-13(9-11-15-2)7-5-3-4-6-12/h3-11H2,1-2H3
InChIKeyYPAYXDRYCYHZOE-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.99
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

5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
8-chloro-N,N-bis(8-chlorooctyl)octan-1-amine
CID 170325577
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
N-(2-chloroethyl)-N-(2-methoxyethyl)-3-phenoxypropan-1-amine
CID 113468128
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(5-methoxypentyl)pentan-1-amine
CID 167143276
2-[2-methoxyethyl(nonyl)amino]ethanol
CID 113468040
N-(2-chloroethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 113427470
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine (CID 61418354) is 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine is COCCN(CCCCCCl)CCOC.
What is the InChIKey of 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine?
The InChIKey is YPAYXDRYCYHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-14-10-8-13(9-11-15-2)7-5-3-4-6-12/h3-11H2,1-2H3.
What are the key properties of 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine?
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 1.99, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 61418354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).