butane;but-1-ene;ethane;methanamine

C11H29N — CID 145230806

IUPACbutane;but-1-ene;ethane;methanamine
SMILESC=CCC.CC.CCCC.CN
InChIInChI=1S/C4H10.C4H8.C2H6.CH5N/c2*1-3-4-2;2*1-2/h3-4H2,1-2H3;3H,1,4H2,2H3;1-2H3;2H2,1H3
InChIKeyKZJHPJZLNSARFY-UHFFFAOYSA-N
MW175.36 g/mol
LogP3.99
Rot. Bonds2

About butane;but-1-ene;ethane;methanamine

butane;but-1-ene;ethane;methanamine (PubChem CID 145230806) has the molecular formula C11H29N and a molecular weight of 175.36 g/mol. Its IUPAC name is butane;but-1-ene;ethane;methanamine.

Molecular Properties

Compound Namebutane;but-1-ene;ethane;methanamine
PubChem CID145230806
Molecular FormulaC11H29N
Molecular Weight175.36 g/mol
Exact Mass175.23
IUPAC Namebutane;but-1-ene;ethane;methanamine
SMILESC=CCC.CC.CCCC.CN
InChIInChI=1S/C4H10.C4H8.C2H6.CH5N/c2*1-3-4-2;2*1-2/h3-4H2,1-2H3;3H,1,4H2,2H3;1-2H3;2H2,1H3
InChIKeyKZJHPJZLNSARFY-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;bis(but-1-ene)
CID 160596310
benzene;but-1-ene;methanamine
CID 174634102
but-1-ene;ethane;pentane
CID 142205498
but-1-ene;ethane;ethene;propane
CID 144521241
but-1-ene;ethene
CID 19017343
but-1-ene;dihydrofluoride
CID 175726295
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
but-1-ene;ethane;nonane
CID 170645806
but-1-ene;methanethiol
CID 174505705
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
butane;ethane;methanamine;propane
CID 144557316
butane;ethane;methanamine;hydrate
CID 144914284

Frequently Asked Questions

What is the IUPAC name of butane;but-1-ene;ethane;methanamine?
The IUPAC name of butane;but-1-ene;ethane;methanamine (CID 145230806) is butane;but-1-ene;ethane;methanamine.
What is the SMILES notation for butane;but-1-ene;ethane;methanamine?
The canonical SMILES for butane;but-1-ene;ethane;methanamine is C=CCC.CC.CCCC.CN.
What is the InChIKey of butane;but-1-ene;ethane;methanamine?
The InChIKey is KZJHPJZLNSARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C4H8.C2H6.CH5N/c2*1-3-4-2;2*1-2/h3-4H2,1-2H3;3H,1,4H2,2H3;1-2H3;2H2,1H3.
What are the key properties of butane;but-1-ene;ethane;methanamine?
butane;but-1-ene;ethane;methanamine has a molecular weight of 175.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;but-1-ene;ethane;methanamine is sourced from PubChem (CID 145230806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).