3-dodecoxy-N-tetradecoxypropan-1-amine

C29H61NO2 — CID 87645164

IUPAC3-dodecoxy-N-tetradecoxypropan-1-amine
SMILESCCCCCCCCCCCCCCONCCCOCCCCCCCCCCCC
InChIInChI=1S/C29H61NO2/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-32-30-26-25-28-31-27-23-21-19-17-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3
InChIKeyDPEYKRLIFHCAHZ-UHFFFAOYSA-N
MW455.81 g/mol
LogP9.54
Rot. Bonds29

About 3-dodecoxy-N-tetradecoxypropan-1-amine

3-dodecoxy-N-tetradecoxypropan-1-amine (PubChem CID 87645164) has the molecular formula C29H61NO2 and a molecular weight of 455.81 g/mol. Its IUPAC name is 3-dodecoxy-N-tetradecoxypropan-1-amine.

Molecular Properties

Compound Name3-dodecoxy-N-tetradecoxypropan-1-amine
PubChem CID87645164
Molecular FormulaC29H61NO2
Molecular Weight455.81 g/mol
Exact Mass455.47
IUPAC Name3-dodecoxy-N-tetradecoxypropan-1-amine
SMILESCCCCCCCCCCCCCCONCCCOCCCCCCCCCCCC
InChIInChI=1S/C29H61NO2/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-32-30-26-25-28-31-27-23-21-19-17-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3
InChIKeyDPEYKRLIFHCAHZ-UHFFFAOYSA-N
XLogP9.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.81
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174727700
CID 174727700
N-octadecoxypropan-1-amine
CID 18519352
N-butoxydecan-1-amine
CID 154317996
N-(2-hexoxyethoxy)propan-1-amine
CID 88792520
CID 159860963
CID 159860963
N-[2-(pentylamino)oxyethoxy]pentan-1-amine
CID 87873811
cyclopropane;N-dodecoxypropan-1-amine
CID 130367915
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 3-dodecoxy-N-tetradecoxypropan-1-amine?
The IUPAC name of 3-dodecoxy-N-tetradecoxypropan-1-amine (CID 87645164) is 3-dodecoxy-N-tetradecoxypropan-1-amine.
What is the SMILES notation for 3-dodecoxy-N-tetradecoxypropan-1-amine?
The canonical SMILES for 3-dodecoxy-N-tetradecoxypropan-1-amine is CCCCCCCCCCCCCCONCCCOCCCCCCCCCCCC.
What is the InChIKey of 3-dodecoxy-N-tetradecoxypropan-1-amine?
The InChIKey is DPEYKRLIFHCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61NO2/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-32-30-26-25-28-31-27-23-21-19-17-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3.
What are the key properties of 3-dodecoxy-N-tetradecoxypropan-1-amine?
3-dodecoxy-N-tetradecoxypropan-1-amine has a molecular weight of 455.81 g/mol, XLogP of 9.54, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecoxy-N-tetradecoxypropan-1-amine is sourced from PubChem (CID 87645164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).