5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine

C10H22ClNO — CID 61446826

IUPAC5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
SMILESCCN(CCCCCCl)CCOC
InChIInChI=1S/C10H22ClNO/c1-3-12(9-10-13-2)8-6-4-5-7-11/h3-10H2,1-2H3
InChIKeyDXXJCMJUQBUYOD-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.36
Rot. Bonds9

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

5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 61446826) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
PubChem CID61446826
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
SMILESCCN(CCCCCCl)CCOC
InChIInChI=1S/C10H22ClNO/c1-3-12(9-10-13-2)8-6-4-5-7-11/h3-10H2,1-2H3
InChIKeyDXXJCMJUQBUYOD-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.36
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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Related Compounds

5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102996112
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829
N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
CID 63666499
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine (CID 61446826) is 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine is CCN(CCCCCCl)CCOC.
What is the InChIKey of 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is DXXJCMJUQBUYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-3-12(9-10-13-2)8-6-4-5-7-11/h3-10H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 207.74 g/mol, XLogP of 2.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 61446826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).