ethane;N-methylbutan-1-amine;N-methylethanamine

C10H28N2 — CID 162138927

IUPACethane;N-methylbutan-1-amine;N-methylethanamine
SMILESCC.CCCCNC.CCNC
InChIInChI=1S/C5H13N.C3H9N.C2H6/c1-3-4-5-6-2;1-3-4-2;1-2/h6H,3-5H2,1-2H3;4H,3H2,1-2H3;1-2H3
InChIKeyZJRBPZCFIFJZAH-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.26
Rot. Bonds4

About ethane;N-methylbutan-1-amine;N-methylethanamine

ethane;N-methylbutan-1-amine;N-methylethanamine (PubChem CID 162138927) has the molecular formula C10H28N2 and a molecular weight of 176.35 g/mol. Its IUPAC name is ethane;N-methylbutan-1-amine;N-methylethanamine.

Molecular Properties

Compound Nameethane;N-methylbutan-1-amine;N-methylethanamine
PubChem CID162138927
Molecular FormulaC10H28N2
Molecular Weight176.35 g/mol
Exact Mass176.23
IUPAC Nameethane;N-methylbutan-1-amine;N-methylethanamine
SMILESCC.CCCCNC.CCNC
InChIInChI=1S/C5H13N.C3H9N.C2H6/c1-3-4-5-6-2;1-3-4-2;1-2/h6H,3-5H2,1-2H3;4H,3H2,1-2H3;1-2H3
InChIKeyZJRBPZCFIFJZAH-UHFFFAOYSA-N
XLogP2.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 52.26
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

ethane;N-methylbutan-1-amine;propane
CID 142092371
N-methylbutan-1-amine
CID 8068
bromomethane;deuterium monohydride;N-methylbutan-1-amine
CID 158856425
N-methyltriacontan-1-amine
CID 19840895
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
ethane;formaldehyde;N-methylethanamine;pentane
CID 153349294
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-methylbutan-1-amine;trimethoxysilane
CID 173013927
ethane;N-methylbutan-1-amine;pyridine
CID 143336526
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
ethene;N-methylethanamine;N-methylpropan-1-amine
CID 143374724

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylbutan-1-amine;N-methylethanamine?
The IUPAC name of ethane;N-methylbutan-1-amine;N-methylethanamine (CID 162138927) is ethane;N-methylbutan-1-amine;N-methylethanamine.
What is the SMILES notation for ethane;N-methylbutan-1-amine;N-methylethanamine?
The canonical SMILES for ethane;N-methylbutan-1-amine;N-methylethanamine is CC.CCCCNC.CCNC.
What is the InChIKey of ethane;N-methylbutan-1-amine;N-methylethanamine?
The InChIKey is ZJRBPZCFIFJZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3H9N.C2H6/c1-3-4-5-6-2;1-3-4-2;1-2/h6H,3-5H2,1-2H3;4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methylbutan-1-amine;N-methylethanamine?
ethane;N-methylbutan-1-amine;N-methylethanamine has a molecular weight of 176.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylbutan-1-amine;N-methylethanamine is sourced from PubChem (CID 162138927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).