(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol

C16H38N4O2 — CID 3075354

IUPAC(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
SMILESCCNCC[C@@H](O)CNCCCCNC[C@H](O)CCNCC
InChIInChI=1S/C16H38N4O2/c1-3-17-11-7-15(21)13-19-9-5-6-10-20-14-16(22)8-12-18-4-2/h15-22H,3-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyAFXLPCNTPZQBIC-HZPDHXFCSA-N
MW318.51 g/mol
LogP-0.33
Rot. Bonds17

About (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol

(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol (PubChem CID 3075354) has the molecular formula C16H38N4O2 and a molecular weight of 318.51 g/mol. Its IUPAC name is (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
PubChem CID3075354
Molecular FormulaC16H38N4O2
Molecular Weight318.51 g/mol
Exact Mass318.30
IUPAC Name(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol
SMILESCCNCC[C@@H](O)CNCCCCNC[C@H](O)CCNCC
InChIInChI=1S/C16H38N4O2/c1-3-17-11-7-15(21)13-19-9-5-6-10-20-14-16(22)8-12-18-4-2/h15-22H,3-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyAFXLPCNTPZQBIC-HZPDHXFCSA-N
XLogP-0.33
TPSA88.58 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.51
LogP ≤ 5-0.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol?
The IUPAC name of (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol (CID 3075354) is (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol.
What is the SMILES notation for (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol?
The canonical SMILES for (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol is CCNCC[C@@H](O)CNCCCCNC[C@H](O)CCNCC.
What is the InChIKey of (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol?
The InChIKey is AFXLPCNTPZQBIC-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H38N4O2/c1-3-17-11-7-15(21)13-19-9-5-6-10-20-14-16(22)8-12-18-4-2/h15-22H,3-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol?
(2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol has a molecular weight of 318.51 g/mol, XLogP of -0.33, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(ethylamino)-1-[4-[[(2R)-4-(ethylamino)-2-hydroxybutyl]amino]butylamino]butan-2-ol is sourced from PubChem (CID 3075354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).