3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol

C20H44N2O — CID 139697693

IUPAC3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
SMILESCCCCCCCCCCCCCCNCC(C)NCCCO
InChIInChI=1S/C20H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-19-20(2)22-17-15-18-23/h20-23H,3-19H2,1-2H3
InChIKeyJXUDYJABLYRWFC-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.64
Rot. Bonds19

About 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol

3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol (PubChem CID 139697693) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
PubChem CID139697693
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Name3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
SMILESCCCCCCCCCCCCCCNCC(C)NCCCO
InChIInChI=1S/C20H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-19-20(2)22-17-15-18-23/h20-23H,3-19H2,1-2H3
InChIKeyJXUDYJABLYRWFC-UHFFFAOYSA-N
XLogP4.64
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-dioctylpropane-1,2-diamine
CID 139931025
2-N-(3-aminopropyl)-1-N-octadecylpropane-1,2-diamine
CID 88840012
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
3-(octylamino)butan-1-ol
CID 83177243
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
1-N-[1-[1-(hexadecylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18792189
1-N-[1-[1-(docosylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18794953
8-(undecylamino)octan-1-ol
CID 139305047
1-[2-[2-(dodecylamino)ethylamino]propylamino]ethanol
CID 71373335
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879

Frequently Asked Questions

What is the IUPAC name of 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol (CID 139697693) is 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol is CCCCCCCCCCCCCCNCC(C)NCCCO.
What is the InChIKey of 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol?
The InChIKey is JXUDYJABLYRWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-21-19-20(2)22-17-15-18-23/h20-23H,3-19H2,1-2H3.
What are the key properties of 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol?
3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol has a molecular weight of 328.59 g/mol, XLogP of 4.64, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 139697693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).