(2S)-1-(hexadecylamino)propan-2-ol

C19H41NO — CID 96570879

IUPAC(2S)-1-(hexadecylamino)propan-2-ol
SMILESCCCCCCCCCCCCCCCCNC[C@H](C)O
InChIInChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)21/h19-21H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyPJJWFLQTCVHCIU-IBGZPJMESA-N
MW299.54 g/mol
LogP5.44
Rot. Bonds17

About (2S)-1-(hexadecylamino)propan-2-ol

(2S)-1-(hexadecylamino)propan-2-ol (PubChem CID 96570879) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is (2S)-1-(hexadecylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(hexadecylamino)propan-2-ol
PubChem CID96570879
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name(2S)-1-(hexadecylamino)propan-2-ol
SMILESCCCCCCCCCCCCCCCCNC[C@H](C)O
InChIInChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)21/h19-21H,3-18H2,1-2H3/t19-/m0/s1
InChIKeyPJJWFLQTCVHCIU-IBGZPJMESA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(pentylamino)propan-2-ol
CID 3016247
1-(pentylamino)propan-2-ol;hydrate
CID 173220039
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
[2-(heptylamino)-1-trihydroxyphosphaniumylethyl]-trihydroxyphosphanium
CID 78225533
2-(octadecylamino)ethane-1,1-diol;hydrate
CID 173098579
2-(heptadecylamino)ethane-1,1-diol;hydrobromide
CID 175162321
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
1-(octadecylamino)butan-2-ol
CID 174541083
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(hexadecylamino)propan-2-ol?
The IUPAC name of (2S)-1-(hexadecylamino)propan-2-ol (CID 96570879) is (2S)-1-(hexadecylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(hexadecylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(hexadecylamino)propan-2-ol is CCCCCCCCCCCCCCCCNC[C@H](C)O.
What is the InChIKey of (2S)-1-(hexadecylamino)propan-2-ol?
The InChIKey is PJJWFLQTCVHCIU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)21/h19-21H,3-18H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-1-(hexadecylamino)propan-2-ol?
(2S)-1-(hexadecylamino)propan-2-ol has a molecular weight of 299.54 g/mol, XLogP of 5.44, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(hexadecylamino)propan-2-ol is sourced from PubChem (CID 96570879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).