4-ethyl-N-methyl-1-propoxyhexan-3-amine

C12H27NO — CID 105168465

IUPAC4-ethyl-N-methyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(NC)C(CC)CC
InChIInChI=1S/C12H27NO/c1-5-9-14-10-8-12(13-4)11(6-2)7-3/h11-13H,5-10H2,1-4H3
InChIKeyYXTJNLNPUIWVQL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds9

About 4-ethyl-N-methyl-1-propoxyhexan-3-amine

4-ethyl-N-methyl-1-propoxyhexan-3-amine (PubChem CID 105168465) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-ethyl-N-methyl-1-propoxyhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-1-propoxyhexan-3-amine
PubChem CID105168465
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-ethyl-N-methyl-1-propoxyhexan-3-amine
SMILESCCCOCCC(NC)C(CC)CC
InChIInChI=1S/C12H27NO/c1-5-9-14-10-8-12(13-4)11(6-2)7-3/h11-13H,5-10H2,1-4H3
InChIKeyYXTJNLNPUIWVQL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-methylnonan-4-amine
CID 115837459
4-ethyl-N-methylhexan-3-amine
CID 79307570
4-chloro-3-ethyl-1-propoxypentane
CID 106455983
3-methyl-1-propoxypentane
CID 123388243
N,5-dimethyl-1-propoxyheptan-3-amine
CID 105138301
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
3-ethyl-5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentan-2-amine
CID 104564561
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
4-propoxybutan-2-ylhydrazine
CID 105282576

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-1-propoxyhexan-3-amine?
The IUPAC name of 4-ethyl-N-methyl-1-propoxyhexan-3-amine (CID 105168465) is 4-ethyl-N-methyl-1-propoxyhexan-3-amine.
What is the SMILES notation for 4-ethyl-N-methyl-1-propoxyhexan-3-amine?
The canonical SMILES for 4-ethyl-N-methyl-1-propoxyhexan-3-amine is CCCOCCC(NC)C(CC)CC.
What is the InChIKey of 4-ethyl-N-methyl-1-propoxyhexan-3-amine?
The InChIKey is YXTJNLNPUIWVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-9-14-10-8-12(13-4)11(6-2)7-3/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-ethyl-N-methyl-1-propoxyhexan-3-amine?
4-ethyl-N-methyl-1-propoxyhexan-3-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-1-propoxyhexan-3-amine is sourced from PubChem (CID 105168465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).