N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine

C15H33NO2 — CID 163400505

IUPACN-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
SMILESCCCCCOCCCOCCCN(C)C(C)C
InChIInChI=1S/C15H33NO2/c1-5-6-7-11-17-13-9-14-18-12-8-10-16(4)15(2)3/h15H,5-14H2,1-4H3
InChIKeyTWTFHYDQBCVEHO-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.33
Rot. Bonds13

About N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine

N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 163400505) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
PubChem CID163400505
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine
SMILESCCCCCOCCCOCCCN(C)C(C)C
InChIInChI=1S/C15H33NO2/c1-5-6-7-11-17-13-9-14-18-12-8-10-16(4)15(2)3/h15H,5-14H2,1-4H3
InChIKeyTWTFHYDQBCVEHO-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
ethane;N'-methyl-N-[2-(2-pentoxyethoxy)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 164907050
2-methyl-N-(3-pentoxypropyl)-N-propan-2-ylpropan-1-amine
CID 167156460
1-(3-octoxypropoxy)nonane
CID 123372111
3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine (CID 163400505) is N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine is CCCCCOCCCOCCCN(C)C(C)C.
What is the InChIKey of N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is TWTFHYDQBCVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-5-6-7-11-17-13-9-14-18-12-8-10-16(4)15(2)3/h15H,5-14H2,1-4H3.
What are the key properties of N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine?
N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 259.43 g/mol, XLogP of 3.33, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-pentoxypropoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 163400505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).