1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine

C14H30ClNO3 — CID 106354187

IUPAC1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
SMILESCOCCOCCOCCNC(CCCl)C(C)(C)C
InChIInChI=1S/C14H30ClNO3/c1-14(2,3)13(5-6-15)16-7-8-18-11-12-19-10-9-17-4/h13,16H,5-12H2,1-4H3
InChIKeyDEEQLQHXMZLOGN-UHFFFAOYSA-N
MW295.85 g/mol
LogP2.30
Rot. Bonds12

About 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine

1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine (PubChem CID 106354187) has the molecular formula C14H30ClNO3 and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
PubChem CID106354187
Molecular FormulaC14H30ClNO3
Molecular Weight295.85 g/mol
Exact Mass295.19
IUPAC Name1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine
SMILESCOCCOCCOCCNC(CCCl)C(C)(C)C
InChIInChI=1S/C14H30ClNO3/c1-14(2,3)13(5-6-15)16-7-8-18-11-12-19-10-9-17-4/h13,16H,5-12H2,1-4H3
InChIKeyDEEQLQHXMZLOGN-UHFFFAOYSA-N
XLogP2.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-chloro-1-methoxy-N-[2-(2-methoxyethoxy)ethyl]butan-2-amine
CID 106152336
N-ethyl-8-(2-methoxyethoxy)-2,2-dimethyloctan-3-amine
CID 103413704
1-chloro-4,4-dimethyl-N-(4-methylpentyl)pentan-3-amine
CID 106354031
4-chloro-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103184040
4-(chloromethyl)-1-(2-methoxyethoxy)-5,5-dimethylhexane
CID 103415451
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
CID 106356510
4-chloro-1-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-2-amine
CID 106152372
6-(3-methoxypropoxy)-N,2,2-trimethylhexan-3-amine
CID 103181088
2-N-[2-(2-methoxyethoxy)ethyl]-3-methylbutane-1,2-diamine
CID 106345341
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-chloro-4-methylpentan-3-amine
CID 106353840
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine (CID 106354187) is 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine is COCCOCCOCCNC(CCCl)C(C)(C)C.
What is the InChIKey of 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine?
The InChIKey is DEEQLQHXMZLOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClNO3/c1-14(2,3)13(5-6-15)16-7-8-18-11-12-19-10-9-17-4/h13,16H,5-12H2,1-4H3.
What are the key properties of 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine?
1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine has a molecular weight of 295.85 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 106354187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).