(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol

C12H24N2O — CID 10727286

IUPAC(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol
SMILESC=CCN(CC=C)[C@H](CN)[C@@H](O)CCC
InChIInChI=1S/C12H24N2O/c1-4-7-12(15)11(10-13)14(8-5-2)9-6-3/h5-6,11-12,15H,2-4,7-10,13H2,1H3/t11-,12+/m1/s1
InChIKeyDUTAJYAJTUJOJV-NEPJUHHUSA-N
MW212.34 g/mol
LogP1.15
Rot. Bonds9

About (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol

(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol (PubChem CID 10727286) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol
PubChem CID10727286
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol
SMILESC=CCN(CC=C)[C@H](CN)[C@@H](O)CCC
InChIInChI=1S/C12H24N2O/c1-4-7-12(15)11(10-13)14(8-5-2)9-6-3/h5-6,11-12,15H,2-4,7-10,13H2,1H3/t11-,12+/m1/s1
InChIKeyDUTAJYAJTUJOJV-NEPJUHHUSA-N
XLogP1.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol
CID 102069378
ethyl 2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]pentanoate
CID 83043236
3-methoxy-2-N,2-N-bis(prop-2-enyl)propane-1,2-diamine
CID 103225187
ethyl (2S)-2-[bis(prop-2-enyl)amino]-4-methylsulfanylbutanoate
CID 126494805
3-(aminomethyl)heptan-4-ol
CID 54499673
ethyl (3R)-2,3-dihydroxyhept-6-enoate
CID 87766158
1,2-diaminohexane-1,3-diol
CID 91068082
octane-4,5-diol;hydrate
CID 141056272
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
ethyl (2S)-2-[bis(prop-2-enyl)amino]pent-4-ynoate
CID 132820559
ethyl (2S,3S)-2-[bis(prop-2-enyl)amino]-3-methyl-4-oxohexanoate
CID 11311676
ethane;5-methyloct-1-en-4-ol
CID 142059047

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol?
The IUPAC name of (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol (CID 10727286) is (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol.
What is the SMILES notation for (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol?
The canonical SMILES for (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol is C=CCN(CC=C)[C@H](CN)[C@@H](O)CCC.
What is the InChIKey of (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol?
The InChIKey is DUTAJYAJTUJOJV-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-12(15)11(10-13)14(8-5-2)9-6-3/h5-6,11-12,15H,2-4,7-10,13H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol?
(2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol has a molecular weight of 212.34 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-amino-2-[bis(prop-2-enyl)amino]hexan-3-ol is sourced from PubChem (CID 10727286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).