5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine

C11H24ClNO — CID 82960772

IUPAC5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
SMILESCOCCN(CCCCCCl)C(C)C
InChIInChI=1S/C11H24ClNO/c1-11(2)13(9-10-14-3)8-6-4-5-7-12/h11H,4-10H2,1-3H3
InChIKeyOCCIHZPZXMNHAJ-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.75
Rot. Bonds9

About 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine

5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine (PubChem CID 82960772) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
PubChem CID82960772
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
SMILESCOCCN(CCCCCCl)C(C)C
InChIInChI=1S/C11H24ClNO/c1-11(2)13(9-10-14-3)8-6-4-5-7-12/h11H,4-10H2,1-3H3
InChIKeyOCCIHZPZXMNHAJ-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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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
CID 82965257
6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 62227074
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine (CID 82960772) is 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine is COCCN(CCCCCCl)C(C)C.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine?
The InChIKey is OCCIHZPZXMNHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-11(2)13(9-10-14-3)8-6-4-5-7-12/h11H,4-10H2,1-3H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine?
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-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 5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 82960772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).