(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal

C10H18N2O — CID 143110856

IUPAC(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal
SMILESCC/C=N/C=C(/C=O)N(C)CCC
InChIInChI=1S/C10H18N2O/c1-4-6-11-8-10(9-13)12(3)7-5-2/h6,8-9H,4-5,7H2,1-3H3/b10-8-,11-6+
InChIKeyRMRPFYXARZTMLE-DEUQGVHJSA-N
MW182.27 g/mol
LogP1.85
Rot. Bonds6

About (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal

(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal (PubChem CID 143110856) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal
PubChem CID143110856
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal
SMILESCC/C=N/C=C(/C=O)N(C)CCC
InChIInChI=1S/C10H18N2O/c1-4-6-11-8-10(9-13)12(3)7-5-2/h6,8-9H,4-5,7H2,1-3H3/b10-8-,11-6+
InChIKeyRMRPFYXARZTMLE-DEUQGVHJSA-N
XLogP1.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-bis(methylideneamino)prop-2-enal;N,N-dimethylmethanamine;ethane
CID 143336148
[(Z)-1-(5-formyl-2H-pyrazin-1-yl)prop-1-en-2-yl]-methylidyneazanium
CID 145506645

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal?
The IUPAC name of (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal (CID 143110856) is (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal.
What is the SMILES notation for (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal?
The canonical SMILES for (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal is CC/C=N/C=C(/C=O)N(C)CCC.
What is the InChIKey of (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal?
The InChIKey is RMRPFYXARZTMLE-DEUQGVHJSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-11-8-10(9-13)12(3)7-5-2/h6,8-9H,4-5,7H2,1-3H3/b10-8-,11-6+.
What are the key properties of (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal?
(Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal has a molecular weight of 182.27 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[methyl(propyl)amino]-3-(propylideneamino)prop-2-enal is sourced from PubChem (CID 143110856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).