3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol

C15H28N2O — CID 174088117

IUPAC3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol
SMILESC=C(CN(C)C)C(CO)=C(N/C=C\CC)C(C)C
InChIInChI=1S/C15H28N2O/c1-7-8-9-16-15(12(2)3)14(11-18)13(4)10-17(5)6/h8-9,12,16,18H,4,7,10-11H2,1-3,5-6H3/b9-8-,15-14?
InChIKeyYAMVWUVEDAUNPD-GZCXEYBPSA-N
MW252.40 g/mol
LogP2.52
Rot. Bonds8

About 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol

3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol (PubChem CID 174088117) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol.

Molecular Properties

Compound Name3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol
PubChem CID174088117
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol
SMILESC=C(CN(C)C)C(CO)=C(N/C=C\CC)C(C)C
InChIInChI=1S/C15H28N2O/c1-7-8-9-16-15(12(2)3)14(11-18)13(4)10-17(5)6/h8-9,12,16,18H,4,7,10-11H2,1-3,5-6H3/b9-8-,15-14?
InChIKeyYAMVWUVEDAUNPD-GZCXEYBPSA-N
XLogP2.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol?
The IUPAC name of 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol (CID 174088117) is 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol.
What is the SMILES notation for 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol?
The canonical SMILES for 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol is C=C(CN(C)C)C(CO)=C(N/C=C\CC)C(C)C.
What is the InChIKey of 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol?
The InChIKey is YAMVWUVEDAUNPD-GZCXEYBPSA-N. The full InChI is InChI=1S/C15H28N2O/c1-7-8-9-16-15(12(2)3)14(11-18)13(4)10-17(5)6/h8-9,12,16,18H,4,7,10-11H2,1-3,5-6H3/b9-8-,15-14?.
What are the key properties of 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol?
3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol has a molecular weight of 252.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-but-1-enyl]amino]-2-[3-(dimethylamino)prop-1-en-2-yl]-4-methylpent-2-en-1-ol is sourced from PubChem (CID 174088117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).