3-(butan-2-ylamino)propyl prop-2-enoate

C10H19NO2 — CID 54483162

IUPAC3-(butan-2-ylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC(C)CC
InChIInChI=1S/C10H19NO2/c1-4-9(3)11-7-6-8-13-10(12)5-2/h5,9,11H,2,4,6-8H2,1,3H3
InChIKeyXQLAUIHIUWGQPK-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds7

About 3-(butan-2-ylamino)propyl prop-2-enoate

3-(butan-2-ylamino)propyl prop-2-enoate (PubChem CID 54483162) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(butan-2-ylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(butan-2-ylamino)propyl prop-2-enoate
PubChem CID54483162
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(butan-2-ylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNC(C)CC
InChIInChI=1S/C10H19NO2/c1-4-9(3)11-7-6-8-13-10(12)5-2/h5,9,11H,2,4,6-8H2,1,3H3
InChIKeyXQLAUIHIUWGQPK-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methylhexyl prop-2-enoate
CID 58980362
2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen
CID 156746930
2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride
CID 175286908
2-(3-prop-2-enoyloxypropylcarbamoyloxy)ethyl 2-methylbutanoate
CID 167317155
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
4-aminohexyl prop-2-enoate
CID 91140688
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-sulfanylhexyl prop-2-enoate
CID 141236879
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)propyl prop-2-enoate?
The IUPAC name of 3-(butan-2-ylamino)propyl prop-2-enoate (CID 54483162) is 3-(butan-2-ylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(butan-2-ylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(butan-2-ylamino)propyl prop-2-enoate is C=CC(=O)OCCCNC(C)CC.
What is the InChIKey of 3-(butan-2-ylamino)propyl prop-2-enoate?
The InChIKey is XQLAUIHIUWGQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9(3)11-7-6-8-13-10(12)5-2/h5,9,11H,2,4,6-8H2,1,3H3.
What are the key properties of 3-(butan-2-ylamino)propyl prop-2-enoate?
3-(butan-2-ylamino)propyl prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)propyl prop-2-enoate is sourced from PubChem (CID 54483162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).