4-(methylamino)butanal;N-methylbutan-1-amine

C10H24N2O — CID 143130066

IUPAC4-(methylamino)butanal;N-methylbutan-1-amine
SMILESCCCCNC.CNCCCC=O
InChIInChI=1S/C5H11NO.C5H13N/c1-6-4-2-3-5-7;1-3-4-5-6-2/h5-6H,2-4H2,1H3;6H,3-5H2,1-2H3
InChIKeyVXBLLHPQQNJZFU-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.19
Rot. Bonds7

About 4-(methylamino)butanal;N-methylbutan-1-amine

4-(methylamino)butanal;N-methylbutan-1-amine (PubChem CID 143130066) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-(methylamino)butanal;N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(methylamino)butanal;N-methylbutan-1-amine
PubChem CID143130066
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-(methylamino)butanal;N-methylbutan-1-amine
SMILESCCCCNC.CNCCCC=O
InChIInChI=1S/C5H11NO.C5H13N/c1-6-4-2-3-5-7;1-3-4-5-6-2/h5-6H,2-4H2,1H3;6H,3-5H2,1-2H3
InChIKeyVXBLLHPQQNJZFU-UHFFFAOYSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylpropan-1-amine;pentanal
CID 145316342
20-(methylamino)icosanal
CID 177224793
N-methylbutan-1-amine
CID 8068
ethane;8-(methylamino)octanal
CID 164864481
ethane;9-(methylamino)nonanal
CID 164864319
ethane;N-methylbutan-1-amine;propane
CID 142092371
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916
hexanal;trihydrochloride
CID 175325753
hexanal;titanium
CID 87066655
pentanal;silver;vanadium
CID 87225713
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)butanal;N-methylbutan-1-amine?
The IUPAC name of 4-(methylamino)butanal;N-methylbutan-1-amine (CID 143130066) is 4-(methylamino)butanal;N-methylbutan-1-amine.
What is the SMILES notation for 4-(methylamino)butanal;N-methylbutan-1-amine?
The canonical SMILES for 4-(methylamino)butanal;N-methylbutan-1-amine is CCCCNC.CNCCCC=O.
What is the InChIKey of 4-(methylamino)butanal;N-methylbutan-1-amine?
The InChIKey is VXBLLHPQQNJZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C5H13N/c1-6-4-2-3-5-7;1-3-4-5-6-2/h5-6H,2-4H2,1H3;6H,3-5H2,1-2H3.
What are the key properties of 4-(methylamino)butanal;N-methylbutan-1-amine?
4-(methylamino)butanal;N-methylbutan-1-amine has a molecular weight of 188.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)butanal;N-methylbutan-1-amine is sourced from PubChem (CID 143130066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).