1-(2-aminoethylamino)tetradecan-2-ol

C16H36N2O — CID 13214625

IUPAC1-(2-aminoethylamino)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCN
InChIInChI=1S/C16H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-18-14-13-17/h16,18-19H,2-15,17H2,1H3
InChIKeyPVRLCRSXXRKMHU-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.21
Rot. Bonds15

About 1-(2-aminoethylamino)tetradecan-2-ol

1-(2-aminoethylamino)tetradecan-2-ol (PubChem CID 13214625) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-(2-aminoethylamino)tetradecan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)tetradecan-2-ol
PubChem CID13214625
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-(2-aminoethylamino)tetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)CNCCN
InChIInChI=1S/C16H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-18-14-13-17/h16,18-19H,2-15,17H2,1H3
InChIKeyPVRLCRSXXRKMHU-UHFFFAOYSA-N
XLogP3.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)tetradecan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)tetradecan-2-ol (CID 13214625) is 1-(2-aminoethylamino)tetradecan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)tetradecan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)tetradecan-2-ol is CCCCCCCCCCCCC(O)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)tetradecan-2-ol?
The InChIKey is PVRLCRSXXRKMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)15-18-14-13-17/h16,18-19H,2-15,17H2,1H3.
What are the key properties of 1-(2-aminoethylamino)tetradecan-2-ol?
1-(2-aminoethylamino)tetradecan-2-ol has a molecular weight of 272.48 g/mol, XLogP of 3.21, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)tetradecan-2-ol is sourced from PubChem (CID 13214625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).