ethane;N-methylbutan-1-amine;propane

C12H33N — CID 142092371

IUPACethane;N-methylbutan-1-amine;propane
SMILESCC.CC.CCC.CCCCNC
InChIInChI=1S/C5H13N.C3H8.2C2H6/c1-3-4-5-6-2;1-3-2;2*1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyVFDPOFIAQUPERS-UHFFFAOYSA-N
MW191.40 g/mol
LogP4.47
Rot. Bonds3

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

ethane;N-methylbutan-1-amine;propane (PubChem CID 142092371) has the molecular formula C12H33N and a molecular weight of 191.40 g/mol. Its IUPAC name is ethane;N-methylbutan-1-amine;propane.

Molecular Properties

Compound Nameethane;N-methylbutan-1-amine;propane
PubChem CID142092371
Molecular FormulaC12H33N
Molecular Weight191.40 g/mol
Exact Mass191.26
IUPAC Nameethane;N-methylbutan-1-amine;propane
SMILESCC.CC.CCC.CCCCNC
InChIInChI=1S/C5H13N.C3H8.2C2H6/c1-3-4-5-6-2;1-3-2;2*1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyVFDPOFIAQUPERS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.40
LogP ≤ 54.47
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

N-methylbutan-1-amine
CID 8068
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-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
N-methylbutan-1-amine;methylsulfanylethane
CID 153330629
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
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

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylbutan-1-amine;propane?
The IUPAC name of ethane;N-methylbutan-1-amine;propane (CID 142092371) is ethane;N-methylbutan-1-amine;propane.
What is the SMILES notation for ethane;N-methylbutan-1-amine;propane?
The canonical SMILES for ethane;N-methylbutan-1-amine;propane is CC.CC.CCC.CCCCNC.
What is the InChIKey of ethane;N-methylbutan-1-amine;propane?
The InChIKey is VFDPOFIAQUPERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3H8.2C2H6/c1-3-4-5-6-2;1-3-2;2*1-2/h6H,3-5H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methylbutan-1-amine;propane?
ethane;N-methylbutan-1-amine;propane has a molecular weight of 191.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylbutan-1-amine;propane is sourced from PubChem (CID 142092371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).