N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene

C14H29NO — CID 143362831

IUPACN-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene
SMILESC/C=C\C(C)C=O.C=CC.CCN(C)CC
InChIInChI=1S/C6H10O.C5H13N.C3H6/c1-3-4-6(2)5-7;1-4-6(3)5-2;1-3-2/h3-6H,1-2H3;4-5H2,1-3H3;3H,1H2,2H3/b4-3-;;
InChIKeyMRSIXFNOYHROCX-GSBNXNDCSA-N
MW227.39 g/mol
LogP3.55
Rot. Bonds4

About N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene

N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene (PubChem CID 143362831) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene.

Molecular Properties

Compound NameN-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene
PubChem CID143362831
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene
SMILESC/C=C\C(C)C=O.C=CC.CCN(C)CC
InChIInChI=1S/C6H10O.C5H13N.C3H6/c1-3-4-6(2)5-7;1-4-6(3)5-2;1-3-2/h3-6H,1-2H3;4-5H2,1-3H3;3H,1H2,2H3/b4-3-;;
InChIKeyMRSIXFNOYHROCX-GSBNXNDCSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene?
The IUPAC name of N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene (CID 143362831) is N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene.
What is the SMILES notation for N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene?
The canonical SMILES for N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene is C/C=C\C(C)C=O.C=CC.CCN(C)CC.
What is the InChIKey of N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene?
The InChIKey is MRSIXFNOYHROCX-GSBNXNDCSA-N. The full InChI is InChI=1S/C6H10O.C5H13N.C3H6/c1-3-4-6(2)5-7;1-4-6(3)5-2;1-3-2/h3-6H,1-2H3;4-5H2,1-3H3;3H,1H2,2H3/b4-3-;;.
What are the key properties of N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene?
N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene has a molecular weight of 227.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylethanamine;(Z)-2-methylpent-3-enal;prop-1-ene is sourced from PubChem (CID 143362831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).