(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol

C16H30N2O2 — CID 102069378

IUPAC(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol
SMILESC=CCN(CC=C)[C@@H](CN1CCOCC1)[C@H](O)CCC
InChIInChI=1S/C16H30N2O2/c1-4-7-16(19)15(18(8-5-2)9-6-3)14-17-10-12-20-13-11-17/h5-6,15-16,19H,2-4,7-14H2,1H3/t15-,16+/m0/s1
InChIKeyJSSXTXVBPVYKHC-JKSUJKDBSA-N
MW282.43 g/mol
LogP1.52
Rot. Bonds10

About (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol

(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol (PubChem CID 102069378) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol
PubChem CID102069378
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol
SMILESC=CCN(CC=C)[C@@H](CN1CCOCC1)[C@H](O)CCC
InChIInChI=1S/C16H30N2O2/c1-4-7-16(19)15(18(8-5-2)9-6-3)14-17-10-12-20-13-11-17/h5-6,15-16,19H,2-4,7-14H2,1H3/t15-,16+/m0/s1
InChIKeyJSSXTXVBPVYKHC-JKSUJKDBSA-N
XLogP1.52
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-ylheptan-2-ol
CID 15312312
2-(morpholin-4-ylmethyl)pentanal
CID 143181502
1-[methyl(propyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 110909710
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
N'-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]morpholine-4-carboximidamide
CID 111063749
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
butane;4-(2-methylpropyl)morpholine
CID 155751822
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
3-methyl-1-morpholin-4-ylbut-3-en-2-ol
CID 13415301
1-(1-methylpyrrolidin-3-yl)-2-morpholin-4-ylethanol
CID 117237207
4-(2-methyloct-7-enyl)morpholine
CID 15370631

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol?
The IUPAC name of (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol (CID 102069378) is (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol.
What is the SMILES notation for (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol?
The canonical SMILES for (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol is C=CCN(CC=C)[C@@H](CN1CCOCC1)[C@H](O)CCC.
What is the InChIKey of (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol?
The InChIKey is JSSXTXVBPVYKHC-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-7-16(19)15(18(8-5-2)9-6-3)14-17-10-12-20-13-11-17/h5-6,15-16,19H,2-4,7-14H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol?
(2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol has a molecular weight of 282.43 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[bis(prop-2-enyl)amino]-1-morpholin-4-ylhexan-3-ol is sourced from PubChem (CID 102069378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).