(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol

C16H38N4O — CID 155469178

IUPAC(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol
SMILESCCNCCCCNCCCCNC[C@@H](O)CCNCC
InChIInChI=1S/C16H38N4O/c1-3-17-10-5-6-11-19-12-7-8-13-20-15-16(21)9-14-18-4-2/h16-21H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyFGGXBKRTHOBSGT-INIZCTEOSA-N
MW302.51 g/mol
LogP0.70
Rot. Bonds17

About (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol

(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol (PubChem CID 155469178) has the molecular formula C16H38N4O and a molecular weight of 302.51 g/mol. Its IUPAC name is (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol
PubChem CID155469178
Molecular FormulaC16H38N4O
Molecular Weight302.51 g/mol
Exact Mass302.30
IUPAC Name(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol
SMILESCCNCCCCNCCCCNC[C@@H](O)CCNCC
InChIInChI=1S/C16H38N4O/c1-3-17-10-5-6-11-19-12-7-8-13-20-15-16(21)9-14-18-4-2/h16-21H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyFGGXBKRTHOBSGT-INIZCTEOSA-N
XLogP0.70
TPSA68.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 50.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]-2-[[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]methyl]butane-1-thiol
CID 10129588
1-(ethylamino)hexan-2-ol
CID 54078804
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
N-[3-(ethylamino)propyl]-N'-(2-ethylbutyl)butane-1,4-diamine
CID 58965152
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol?
The IUPAC name of (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol (CID 155469178) is (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol.
What is the SMILES notation for (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol?
The canonical SMILES for (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol is CCNCCCCNCCCCNC[C@@H](O)CCNCC.
What is the InChIKey of (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol?
The InChIKey is FGGXBKRTHOBSGT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H38N4O/c1-3-17-10-5-6-11-19-12-7-8-13-20-15-16(21)9-14-18-4-2/h16-21H,3-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol?
(2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol has a molecular weight of 302.51 g/mol, XLogP of 0.70, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(ethylamino)-1-[4-[4-(ethylamino)butylamino]butylamino]butan-2-ol is sourced from PubChem (CID 155469178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).