2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol

C14H34N2O4 — CID 159063171

IUPAC2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol
SMILESCCC(CCO)C(N)CO.CCC(O)C(N)C(O)CC
InChIInChI=1S/2C7H17NO2/c1-3-5(9)7(8)6(10)4-2;1-2-6(3-4-9)7(8)5-10/h5-7,9-10H,3-4,8H2,1-2H3;6-7,9-10H,2-5,8H2,1H3
InChIKeyJYSNDEBCMUKPJK-UHFFFAOYSA-N
MW294.44 g/mol
LogP-0.43
Rot. Bonds9

About 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol

2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol (PubChem CID 159063171) has the molecular formula C14H34N2O4 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol.

Molecular Properties

Compound Name2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol
PubChem CID159063171
Molecular FormulaC14H34N2O4
Molecular Weight294.44 g/mol
Exact Mass294.25
IUPAC Name2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol
SMILESCCC(CCO)C(N)CO.CCC(O)C(N)C(O)CC
InChIInChI=1S/2C7H17NO2/c1-3-5(9)7(8)6(10)4-2;1-2-6(3-4-9)7(8)5-10/h5-7,9-10H,3-4,8H2,1-2H3;6-7,9-10H,2-5,8H2,1H3
InChIKeyJYSNDEBCMUKPJK-UHFFFAOYSA-N
XLogP-0.43
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 5-0.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
3-amino-4-ethylhexan-1-ol
CID 17039430
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
4-ethylhexane-1,3-diol
CID 57229845
2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 90222237
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
1,2-diaminopentane-1,3-diol
CID 57066183
(2S,3R)-2-amino-3-propylbutane-1,4-diol
CID 10820698
(4S,6S,7R)-3-ethyl-4-(2-hydroxyethyl)octane-1,6,7-triol
CID 173122486
3-aminohexane-2,4-diol
CID 144515569
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol?
The IUPAC name of 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol (CID 159063171) is 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol.
What is the SMILES notation for 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol?
The canonical SMILES for 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol is CCC(CCO)C(N)CO.CCC(O)C(N)C(O)CC.
What is the InChIKey of 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol?
The InChIKey is JYSNDEBCMUKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H17NO2/c1-3-5(9)7(8)6(10)4-2;1-2-6(3-4-9)7(8)5-10/h5-7,9-10H,3-4,8H2,1-2H3;6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol?
2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol has a molecular weight of 294.44 g/mol, XLogP of -0.43, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethylpentane-1,5-diol;4-aminoheptane-3,5-diol is sourced from PubChem (CID 159063171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).