propan-1-amine;propyl 2-methylprop-2-enoate

C10H21NO2 — CID 18325550

IUPACpropan-1-amine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCCN
InChIInChI=1S/C7H12O2.C3H9N/c1-4-5-9-7(8)6(2)3;1-2-3-4/h2,4-5H2,1,3H3;2-4H2,1H3
InChIKeyYZDHGCWWOYUIRM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.87
Rot. Bonds4

About propan-1-amine;propyl 2-methylprop-2-enoate

propan-1-amine;propyl 2-methylprop-2-enoate (PubChem CID 18325550) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is propan-1-amine;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namepropan-1-amine;propyl 2-methylprop-2-enoate
PubChem CID18325550
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepropan-1-amine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCCN
InChIInChI=1S/C7H12O2.C3H9N/c1-4-5-9-7(8)6(2)3;1-2-3-4/h2,4-5H2,1,3H3;2-4H2,1H3
InChIKeyYZDHGCWWOYUIRM-UHFFFAOYSA-N
XLogP1.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-1-amine;propyl 2-methylprop-2-enoate?
The IUPAC name of propan-1-amine;propyl 2-methylprop-2-enoate (CID 18325550) is propan-1-amine;propyl 2-methylprop-2-enoate.
What is the SMILES notation for propan-1-amine;propyl 2-methylprop-2-enoate?
The canonical SMILES for propan-1-amine;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.CCCN.
What is the InChIKey of propan-1-amine;propyl 2-methylprop-2-enoate?
The InChIKey is YZDHGCWWOYUIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C3H9N/c1-4-5-9-7(8)6(2)3;1-2-3-4/h2,4-5H2,1,3H3;2-4H2,1H3.
What are the key properties of propan-1-amine;propyl 2-methylprop-2-enoate?
propan-1-amine;propyl 2-methylprop-2-enoate has a molecular weight of 187.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18325550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).