but-1-ene;N,N-dimethylpentan-2-amine;ethane

C13H31N — CID 145343513

IUPACbut-1-ene;N,N-dimethylpentan-2-amine;ethane
SMILESC=CCC.CC.CCCC(C)N(C)C
InChIInChI=1S/C7H17N.C4H8.C2H6/c1-5-6-7(2)8(3)4;1-3-4-2;1-2/h7H,5-6H2,1-4H3;3H,1,4H2,2H3;1-2H3
InChIKeyBIWKUFCWFLTZEA-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.35
Rot. Bonds4

About but-1-ene;N,N-dimethylpentan-2-amine;ethane

but-1-ene;N,N-dimethylpentan-2-amine;ethane (PubChem CID 145343513) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is but-1-ene;N,N-dimethylpentan-2-amine;ethane.

Molecular Properties

Compound Namebut-1-ene;N,N-dimethylpentan-2-amine;ethane
PubChem CID145343513
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Namebut-1-ene;N,N-dimethylpentan-2-amine;ethane
SMILESC=CCC.CC.CCCC(C)N(C)C
InChIInChI=1S/C7H17N.C4H8.C2H6/c1-5-6-7(2)8(3)4;1-3-4-2;1-2/h7H,5-6H2,1-4H3;3H,1,4H2,2H3;1-2H3
InChIKeyBIWKUFCWFLTZEA-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
CID 129066441
butane;bis(but-1-ene)
CID 160596310
ethane;N,N,5-trimethylhexan-2-amine
CID 144654908
dibutyltin;bis(N,N-dimethylpentan-2-amine)
CID 88628949
N-methyl-N-[(2S)-pentan-2-yl]-2-propan-2-ylpent-4-en-1-amine
CID 177053688
but-1-ene;2-methylbutane
CID 142013560
butane;but-1-ene;ethane;methanamine
CID 145230806
but-1-ene;ethane;pentane
CID 142205498
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295

Frequently Asked Questions

What is the IUPAC name of but-1-ene;N,N-dimethylpentan-2-amine;ethane?
The IUPAC name of but-1-ene;N,N-dimethylpentan-2-amine;ethane (CID 145343513) is but-1-ene;N,N-dimethylpentan-2-amine;ethane.
What is the SMILES notation for but-1-ene;N,N-dimethylpentan-2-amine;ethane?
The canonical SMILES for but-1-ene;N,N-dimethylpentan-2-amine;ethane is C=CCC.CC.CCCC(C)N(C)C.
What is the InChIKey of but-1-ene;N,N-dimethylpentan-2-amine;ethane?
The InChIKey is BIWKUFCWFLTZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C4H8.C2H6/c1-5-6-7(2)8(3)4;1-3-4-2;1-2/h7H,5-6H2,1-4H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;N,N-dimethylpentan-2-amine;ethane?
but-1-ene;N,N-dimethylpentan-2-amine;ethane has a molecular weight of 201.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;N,N-dimethylpentan-2-amine;ethane is sourced from PubChem (CID 145343513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).