3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol

C10H21NO — CID 62383077

IUPAC3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol
SMILESC=CC(C)N(CCCO)C(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4)11(9(2)3)7-6-8-12/h5,9-10,12H,1,6-8H2,2-4H3
InChIKeyWZYQMJMIBFDUCZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.65
Rot. Bonds6

About 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol

3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol (PubChem CID 62383077) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol
PubChem CID62383077
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol
SMILESC=CC(C)N(CCCO)C(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4)11(9(2)3)7-6-8-12/h5,9-10,12H,1,6-8H2,2-4H3
InChIKeyWZYQMJMIBFDUCZ-UHFFFAOYSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(1-hydroxyethyl)amino]propan-1-ol
CID 57254428
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-propan-2-yl-N-prop-2-enylpropan-2-amine
CID 558736
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
N-carbamoyl-2-[3-hydroxypropyl(propan-2-yl)amino]propanamide
CID 62021615
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
(2S)-N,N-di(propan-2-yl)but-3-en-2-amine
CID 163439575
5-[2-[di(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 62228638
N-(piperidin-4-ylmethyl)-N-propan-2-ylbut-3-en-2-amine
CID 79714489
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
2-[3-hydroxypropyl(propan-2-yl)amino]-3-methoxypropanehydrazide
CID 103229681

Frequently Asked Questions

What is the IUPAC name of 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol (CID 62383077) is 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol is C=CC(C)N(CCCO)C(C)C.
What is the InChIKey of 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol?
The InChIKey is WZYQMJMIBFDUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(4)11(9(2)3)7-6-8-12/h5,9-10,12H,1,6-8H2,2-4H3.
What are the key properties of 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol?
3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[but-3-en-2-yl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 62383077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).