2-hexadecoxy-3-tetradecoxypropan-1-amine

C33H69NO2 — CID 11827343

IUPAC2-hexadecoxy-3-tetradecoxypropan-1-amine
SMILESCCCCCCCCCCCCCCCCOC(CN)COCCCCCCCCCCCCCC
InChIInChI=1S/C33H69NO2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-36-33(31-34)32-35-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33H,3-32,34H2,1-2H3
InChIKeySPTVSPHKCFBSDN-UHFFFAOYSA-N
MW511.92 g/mol
LogP10.53
Rot. Bonds32

About 2-hexadecoxy-3-tetradecoxypropan-1-amine

2-hexadecoxy-3-tetradecoxypropan-1-amine (PubChem CID 11827343) has the molecular formula C33H69NO2 and a molecular weight of 511.92 g/mol. Its IUPAC name is 2-hexadecoxy-3-tetradecoxypropan-1-amine.

Molecular Properties

Compound Name2-hexadecoxy-3-tetradecoxypropan-1-amine
PubChem CID11827343
Molecular FormulaC33H69NO2
Molecular Weight511.92 g/mol
Exact Mass511.53
IUPAC Name2-hexadecoxy-3-tetradecoxypropan-1-amine
SMILESCCCCCCCCCCCCCCCCOC(CN)COCCCCCCCCCCCCCC
InChIInChI=1S/C33H69NO2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-36-33(31-34)32-35-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33H,3-32,34H2,1-2H3
InChIKeySPTVSPHKCFBSDN-UHFFFAOYSA-N
XLogP10.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.92
LogP ≤ 510.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxy-3-hexadecoxypropan-1-amine
CID 10299682
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
2-dodecoxy-3-octadec-9-enoxypropan-1-amine
CID 73078793
2-dodecoxy-3-[(E)-octadec-9-enoxy]propan-1-amine
CID 10142240
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
3-hexadecoxy-2-methoxypropan-1-amine
CID 14992264
1-(2-dodecoxydecoxy)dodecane
CID 175347971
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxy-3-tetradecoxypropan-1-amine?
The IUPAC name of 2-hexadecoxy-3-tetradecoxypropan-1-amine (CID 11827343) is 2-hexadecoxy-3-tetradecoxypropan-1-amine.
What is the SMILES notation for 2-hexadecoxy-3-tetradecoxypropan-1-amine?
The canonical SMILES for 2-hexadecoxy-3-tetradecoxypropan-1-amine is CCCCCCCCCCCCCCCCOC(CN)COCCCCCCCCCCCCCC.
What is the InChIKey of 2-hexadecoxy-3-tetradecoxypropan-1-amine?
The InChIKey is SPTVSPHKCFBSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69NO2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-36-33(31-34)32-35-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h33H,3-32,34H2,1-2H3.
What are the key properties of 2-hexadecoxy-3-tetradecoxypropan-1-amine?
2-hexadecoxy-3-tetradecoxypropan-1-amine has a molecular weight of 511.92 g/mol, XLogP of 10.53, 32 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxy-3-tetradecoxypropan-1-amine is sourced from PubChem (CID 11827343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).