6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine

C12H26ClNO — CID 62227074

IUPAC6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
SMILESCCN(CCCCCCCl)C(C)COC
InChIInChI=1S/C12H26ClNO/c1-4-14(12(2)11-15-3)10-8-6-5-7-9-13/h12H,4-11H2,1-3H3
InChIKeyAMJBJOUIVWPRLN-UHFFFAOYSA-N
MW235.80 g/mol
LogP3.14
Rot. Bonds10

About 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine

6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine (PubChem CID 62227074) has the molecular formula C12H26ClNO and a molecular weight of 235.80 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
PubChem CID62227074
Molecular FormulaC12H26ClNO
Molecular Weight235.80 g/mol
Exact Mass235.17
IUPAC Name6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
SMILESCCN(CCCCCCCl)C(C)COC
InChIInChI=1S/C12H26ClNO/c1-4-14(12(2)11-15-3)10-8-6-5-7-9-13/h12H,4-11H2,1-3H3
InChIKeyAMJBJOUIVWPRLN-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 53.14
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-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
CID 62426328
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256
6-[ethyl(1-methoxypropan-2-yl)amino]-2-methyl-2-(methylamino)hexan-1-ol
CID 64826103
2-amino-2-ethyl-5-[ethyl(1-methoxypropan-2-yl)amino]pentan-1-ol
CID 106809399
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 61067521
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
3-[ethyl(4-methoxybutyl)amino]butanoic acid
CID 104648446
2-(bromomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)butan-1-amine
CID 64997501

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine (CID 62227074) is 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine is CCN(CCCCCCCl)C(C)COC.
What is the InChIKey of 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine?
The InChIKey is AMJBJOUIVWPRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNO/c1-4-14(12(2)11-15-3)10-8-6-5-7-9-13/h12H,4-11H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine?
6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine has a molecular weight of 235.80 g/mol, XLogP of 3.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine is sourced from PubChem (CID 62227074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).