1-(2-aminoethylamino)hexadecan-2-ol

C18H40N2O — CID 13214626

IUPAC1-(2-aminoethylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCN
InChIInChI=1S/C18H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)17-20-16-15-19/h18,20-21H,2-17,19H2,1H3
InChIKeyQVRADJKIFDSWKV-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.99
Rot. Bonds17

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

1-(2-aminoethylamino)hexadecan-2-ol (PubChem CID 13214626) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-(2-aminoethylamino)hexadecan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)hexadecan-2-ol
PubChem CID13214626
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name1-(2-aminoethylamino)hexadecan-2-ol
SMILESCCCCCCCCCCCCCCC(O)CNCCN
InChIInChI=1S/C18H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)17-20-16-15-19/h18,20-21H,2-17,19H2,1H3
InChIKeyQVRADJKIFDSWKV-UHFFFAOYSA-N
XLogP3.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.99
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)hexadecan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)hexadecan-2-ol (CID 13214626) is 1-(2-aminoethylamino)hexadecan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)hexadecan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)hexadecan-2-ol is CCCCCCCCCCCCCCC(O)CNCCN.
What is the InChIKey of 1-(2-aminoethylamino)hexadecan-2-ol?
The InChIKey is QVRADJKIFDSWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)17-20-16-15-19/h18,20-21H,2-17,19H2,1H3.
What are the key properties of 1-(2-aminoethylamino)hexadecan-2-ol?
1-(2-aminoethylamino)hexadecan-2-ol has a molecular weight of 300.53 g/mol, XLogP of 3.99, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)hexadecan-2-ol is sourced from PubChem (CID 13214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).