N-methylbutan-1-amine

C5H13N — CID 8068

IUPACN-methylbutan-1-amine
SMILESCCCCNC
InChIInChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
InChIKeyQCOGKXLOEWLIDC-UHFFFAOYSA-N
MW87.17 g/mol
LogP1.01
Rot. Bonds3

About N-methylbutan-1-amine

N-methylbutan-1-amine (PubChem CID 8068) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is N-methylbutan-1-amine.

Molecular Properties

Compound NameN-methylbutan-1-amine
PubChem CID8068
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC NameN-methylbutan-1-amine
SMILESCCCCNC
InChIInChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
InChIKeyQCOGKXLOEWLIDC-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methylbutan-1-amine;propane
CID 142092371
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927
bromomethane;deuterium monohydride;N-methylbutan-1-amine
CID 158856425
N-methyltriacontan-1-amine
CID 19840895
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
N-methylbutan-1-amine;trimethoxysilane
CID 173013927
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-methylbutan-1-amine;piperidine
CID 143978162

Frequently Asked Questions

What is the IUPAC name of N-methylbutan-1-amine?
The IUPAC name of N-methylbutan-1-amine (CID 8068) is N-methylbutan-1-amine.
What is the SMILES notation for N-methylbutan-1-amine?
The canonical SMILES for N-methylbutan-1-amine is CCCCNC.
What is the InChIKey of N-methylbutan-1-amine?
The InChIKey is QCOGKXLOEWLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3.
What are the key properties of N-methylbutan-1-amine?
N-methylbutan-1-amine has a molecular weight of 87.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutan-1-amine is sourced from PubChem (CID 8068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).