4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal

C10H20N2O — CID 176958840

IUPAC4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal
SMILESC=CC(CC(C=O)CCNC)NC
InChIInChI=1S/C10H20N2O/c1-4-10(12-3)7-9(8-13)5-6-11-2/h4,8-12H,1,5-7H2,2-3H3
InChIKeyPOCKRDNVZCVIIT-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.58
Rot. Bonds8

About 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal

4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal (PubChem CID 176958840) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal.

Molecular Properties

Compound Name4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal
PubChem CID176958840
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal
SMILESC=CC(CC(C=O)CCNC)NC
InChIInChI=1S/C10H20N2O/c1-4-10(12-3)7-9(8-13)5-6-11-2/h4,8-12H,1,5-7H2,2-3H3
InChIKeyPOCKRDNVZCVIIT-UHFFFAOYSA-N
XLogP0.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.58
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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Related Compounds

5-bromo-N-methyloct-1-en-3-amine
CID 123321557
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
(2R)-2-N-methylbut-3-ene-1,2-diamine
CID 139310279
methyl (2S,4S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]amino]-4-formyl-6-(methylamino)hexanoate
CID 170007664
2-methoxy-4-(methylamino)butanal
CID 178006352
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
N-methyl-3-(methyliminomethyl)pentan-1-amine
CID 143556278
N-methylnon-1-en-3-amine
CID 91313419
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 105161117
(Z)-2-[2-(methylamino)ethyl]-6-(methylideneamino)oxy-6-(2-methyl-3-oxocyclopropyl)hex-5-enal
CID 156720198
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal?
The IUPAC name of 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal (CID 176958840) is 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal.
What is the SMILES notation for 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal?
The canonical SMILES for 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal is C=CC(CC(C=O)CCNC)NC.
What is the InChIKey of 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal?
The InChIKey is POCKRDNVZCVIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(12-3)7-9(8-13)5-6-11-2/h4,8-12H,1,5-7H2,2-3H3.
What are the key properties of 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal?
4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal has a molecular weight of 184.28 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-[2-(methylamino)ethyl]hex-5-enal is sourced from PubChem (CID 176958840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).