(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol

C18H37NO — CID 6273828

IUPAC(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol
SMILESCCCCCCN(C/C=C/C(C)(C)O)CCCCCC
InChIInChI=1S/C18H37NO/c1-5-7-9-11-15-19(16-12-10-8-6-2)17-13-14-18(3,4)20/h13-14,20H,5-12,15-17H2,1-4H3/b14-13+
InChIKeyRAWNKDXYROZAQJ-BUHFOSPRSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds13

About (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol

(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol (PubChem CID 6273828) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol
PubChem CID6273828
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol
SMILESCCCCCCN(C/C=C/C(C)(C)O)CCCCCC
InChIInChI=1S/C18H37NO/c1-5-7-9-11-15-19(16-12-10-8-6-2)17-13-14-18(3,4)20/h13-14,20H,5-12,15-17H2,1-4H3/b14-13+
InChIKeyRAWNKDXYROZAQJ-BUHFOSPRSA-N
XLogP4.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-enyl-N-dodecyldodecan-1-amine;hydrobromide
CID 173009640
lithium;N-[(E)-but-2-enyl]-N-octyloctan-1-amine;hydride
CID 174719657
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylhexadecan-1-amine
CID 139723811
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928

Frequently Asked Questions

What is the IUPAC name of (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol?
The IUPAC name of (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol (CID 6273828) is (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol.
What is the SMILES notation for (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol?
The canonical SMILES for (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol is CCCCCCN(C/C=C/C(C)(C)O)CCCCCC.
What is the InChIKey of (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol?
The InChIKey is RAWNKDXYROZAQJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-7-9-11-15-19(16-12-10-8-6-2)17-13-14-18(3,4)20/h13-14,20H,5-12,15-17H2,1-4H3/b14-13+.
What are the key properties of (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol?
(E)-5-(dihexylamino)-2-methylpent-3-en-2-ol has a molecular weight of 283.50 g/mol, XLogP of 4.78, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dihexylamino)-2-methylpent-3-en-2-ol is sourced from PubChem (CID 6273828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).