5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal

C14H26N2O — CID 59438921

IUPAC5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal
SMILESC=C(C)CC(CC=O)NC(=C)CC(CC)NC
InChIInChI=1S/C14H26N2O/c1-6-13(15-5)10-12(4)16-14(7-8-17)9-11(2)3/h8,13-16H,2,4,6-7,9-10H2,1,3,5H3
InChIKeyAMJFAPPDIFNOOF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.40
Rot. Bonds10

About 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal

5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal (PubChem CID 59438921) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal.

Molecular Properties

Compound Name5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal
PubChem CID59438921
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal
SMILESC=C(C)CC(CC=O)NC(=C)CC(CC)NC
InChIInChI=1S/C14H26N2O/c1-6-13(15-5)10-12(4)16-14(7-8-17)9-11(2)3/h8,13-16H,2,4,6-7,9-10H2,1,3,5H3
InChIKeyAMJFAPPDIFNOOF-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal?
The IUPAC name of 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal (CID 59438921) is 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal.
What is the SMILES notation for 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal?
The canonical SMILES for 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal is C=C(C)CC(CC=O)NC(=C)CC(CC)NC.
What is the InChIKey of 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal?
The InChIKey is AMJFAPPDIFNOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-13(15-5)10-12(4)16-14(7-8-17)9-11(2)3/h8,13-16H,2,4,6-7,9-10H2,1,3,5H3.
What are the key properties of 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal?
5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal has a molecular weight of 238.37 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(methylamino)hex-1-en-2-ylamino]hex-5-enal is sourced from PubChem (CID 59438921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).