N-methylbutan-1-amine;piperidine

C10H24N2 — CID 143978162

IUPACN-methylbutan-1-amine;piperidine
SMILESC1CCNCC1.CCCCNC
InChIInChI=1S/C5H11N.C5H13N/c1-2-4-6-5-3-1;1-3-4-5-6-2/h6H,1-5H2;6H,3-5H2,1-2H3
InChIKeyNKMYBDYFNSTLEK-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.77
Rot. Bonds3

About N-methylbutan-1-amine;piperidine

N-methylbutan-1-amine;piperidine (PubChem CID 143978162) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-methylbutan-1-amine;piperidine.

Molecular Properties

Compound NameN-methylbutan-1-amine;piperidine
PubChem CID143978162
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-methylbutan-1-amine;piperidine
SMILESC1CCNCC1.CCCCNC
InChIInChI=1S/C5H11N.C5H13N/c1-2-4-6-5-3-1;1-3-4-5-6-2/h6H,1-5H2;6H,3-5H2,1-2H3
InChIKeyNKMYBDYFNSTLEK-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylbutan-1-amine
CID 8068
ethane;N-methylbutan-1-amine;propane
CID 142092371
cyclohexanamine;N-methylbutan-1-amine
CID 22649907
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927
bromomethane;deuterium monohydride;N-methylbutan-1-amine
CID 158856425
N-methyltriacontan-1-amine
CID 19840895
ethanethiol;piperidine
CID 157114701
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
butylcyclohexane;pyrrolidine
CID 145242408
ethane;propane;pyrrolidine
CID 91102166
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582

Frequently Asked Questions

What is the IUPAC name of N-methylbutan-1-amine;piperidine?
The IUPAC name of N-methylbutan-1-amine;piperidine (CID 143978162) is N-methylbutan-1-amine;piperidine.
What is the SMILES notation for N-methylbutan-1-amine;piperidine?
The canonical SMILES for N-methylbutan-1-amine;piperidine is C1CCNCC1.CCCCNC.
What is the InChIKey of N-methylbutan-1-amine;piperidine?
The InChIKey is NKMYBDYFNSTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H13N/c1-2-4-6-5-3-1;1-3-4-5-6-2/h6H,1-5H2;6H,3-5H2,1-2H3.
What are the key properties of N-methylbutan-1-amine;piperidine?
N-methylbutan-1-amine;piperidine has a molecular weight of 172.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutan-1-amine;piperidine is sourced from PubChem (CID 143978162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).