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

C15H30N2O — CID 10587087

IUPAC(2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol
SMILESC=CCN(CC=C)[C@H](CNC(C)C)[C@@H](O)CCC
InChIInChI=1S/C15H30N2O/c1-6-9-15(18)14(12-16-13(4)5)17(10-7-2)11-8-3/h7-8,13-16,18H,2-3,6,9-12H2,1,4-5H3/t14-,15+/m1/s1
InChIKeyXHJQGWBFTGVVHW-CABCVRRESA-N
MW254.42 g/mol
LogP2.19
Rot. Bonds11

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

(2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol (PubChem CID 10587087) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol
PubChem CID10587087
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol
SMILESC=CCN(CC=C)[C@H](CNC(C)C)[C@@H](O)CCC
InChIInChI=1S/C15H30N2O/c1-6-9-15(18)14(12-16-13(4)5)17(10-7-2)11-8-3/h7-8,13-16,18H,2-3,6,9-12H2,1,4-5H3/t14-,15+/m1/s1
InChIKeyXHJQGWBFTGVVHW-CABCVRRESA-N
XLogP2.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol?
The IUPAC name of (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol (CID 10587087) is (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol.
What is the SMILES notation for (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol?
The canonical SMILES for (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol is C=CCN(CC=C)[C@H](CNC(C)C)[C@@H](O)CCC.
What is the InChIKey of (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol?
The InChIKey is XHJQGWBFTGVVHW-CABCVRRESA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-9-15(18)14(12-16-13(4)5)17(10-7-2)11-8-3/h7-8,13-16,18H,2-3,6,9-12H2,1,4-5H3/t14-,15+/m1/s1.
What are the key properties of (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol?
(2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol has a molecular weight of 254.42 g/mol, XLogP of 2.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[bis(prop-2-enyl)amino]-1-(propan-2-ylamino)hexan-3-ol is sourced from PubChem (CID 10587087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).