N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal

C14H27NO — CID 143355704

IUPACN-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal
SMILESC=CCCN(C)CC.CC/C=C\C(C)C=O
InChIInChI=1S/C7H15N.C7H12O/c1-4-6-7-8(3)5-2;1-3-4-5-7(2)6-8/h4H,1,5-7H2,2-3H3;4-7H,3H2,1-2H3/b;5-4-
InChIKeyPZBIMJJUXKPOFU-GUHKXDMSSA-N
MW225.38 g/mol
LogP3.30
Rot. Bonds7

About N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal

N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal (PubChem CID 143355704) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal.

Molecular Properties

Compound NameN-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal
PubChem CID143355704
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal
SMILESC=CCCN(C)CC.CC/C=C\C(C)C=O
InChIInChI=1S/C7H15N.C7H12O/c1-4-6-7-8(3)5-2;1-3-4-5-7(2)6-8/h4H,1,5-7H2,2-3H3;4-7H,3H2,1-2H3/b;5-4-
InChIKeyPZBIMJJUXKPOFU-GUHKXDMSSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.30
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-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal?
The IUPAC name of N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal (CID 143355704) is N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal.
What is the SMILES notation for N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal?
The canonical SMILES for N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal is C=CCCN(C)CC.CC/C=C\C(C)C=O.
What is the InChIKey of N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal?
The InChIKey is PZBIMJJUXKPOFU-GUHKXDMSSA-N. The full InChI is InChI=1S/C7H15N.C7H12O/c1-4-6-7-8(3)5-2;1-3-4-5-7(2)6-8/h4H,1,5-7H2,2-3H3;4-7H,3H2,1-2H3/b;5-4-.
What are the key properties of N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal?
N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal has a molecular weight of 225.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylbut-3-en-1-amine;(Z)-2-methylhex-3-enal is sourced from PubChem (CID 143355704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).