1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol

C15H25NOS — CID 42682268

IUPAC1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(Cc1ccsc1)CC(C)C
InChIInChI=1S/C15H25NOS/c1-4-5-6-15(17)11-16(9-13(2)3)10-14-7-8-18-12-14/h4,7-8,12-13,15,17H,1,5-6,9-11H2,2-3H3
InChIKeyHXPIAVFAAPZVBQ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.53
Rot. Bonds9

About 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol

1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol (PubChem CID 42682268) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol
PubChem CID42682268
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(Cc1ccsc1)CC(C)C
InChIInChI=1S/C15H25NOS/c1-4-5-6-15(17)11-16(9-13(2)3)10-14-7-8-18-12-14/h4,7-8,12-13,15,17H,1,5-6,9-11H2,2-3H3
InChIKeyHXPIAVFAAPZVBQ-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 93162458
1-[(4-methylphenyl)methyl-(2-methylpropyl)amino]hex-5-en-2-ol
CID 46006709
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93162445
1-(4-chlorophenoxy)-3-[2-methylpropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 46007278
1-prop-2-enoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713676
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
(2S)-1-[(3-methoxyphenyl)methyl-(3-methylbutyl)amino]hex-5-en-2-ol
CID 93162945
N-(1-thiophen-3-ylpropan-2-yl)hex-5-en-2-amine
CID 104581872
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]hex-5-en-2-ol
CID 93160609
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-(methylamino)-3-[methyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 43528180

Frequently Asked Questions

What is the IUPAC name of 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol?
The IUPAC name of 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol (CID 42682268) is 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol.
What is the SMILES notation for 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol?
The canonical SMILES for 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol is C=CCCC(O)CN(Cc1ccsc1)CC(C)C.
What is the InChIKey of 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol?
The InChIKey is HXPIAVFAAPZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-5-6-15(17)11-16(9-13(2)3)10-14-7-8-18-12-14/h4,7-8,12-13,15,17H,1,5-6,9-11H2,2-3H3.
What are the key properties of 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol?
1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol has a molecular weight of 267.44 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylpropyl(thiophen-3-ylmethyl)amino]hex-5-en-2-ol is sourced from PubChem (CID 42682268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).