but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide

C16H32N2O — CID 143657062

IUPACbut-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide
SMILESC=CCC.CN[C@@H](C)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C12H24N2O.C4H8/c1-9(11-7-5-4-6-8-11)14-12(15)10(2)13-3;1-3-4-2/h9-11,13H,4-8H2,1-3H3,(H,14,15);3H,1,4H2,2H3/t9?,10-;/m0./s1
InChIKeyFPKBZVYPFAVYPX-FTCYEJDNSA-N
MW268.44 g/mol
LogP3.26
Rot. Bonds5

About but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide

but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide (PubChem CID 143657062) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Namebut-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide
PubChem CID143657062
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Namebut-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide
SMILESC=CCC.CN[C@@H](C)C(=O)NC(C)C1CCCCC1
InChIInChI=1S/C12H24N2O.C4H8/c1-9(11-7-5-4-6-8-11)14-12(15)10(2)13-3;1-3-4-2/h9-11,13H,4-8H2,1-3H3,(H,14,15);3H,1,4H2,2H3/t9?,10-;/m0./s1
InChIKeyFPKBZVYPFAVYPX-FTCYEJDNSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide?
The IUPAC name of but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide (CID 143657062) is but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide.
What is the SMILES notation for but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide?
The canonical SMILES for but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide is C=CCC.CN[C@@H](C)C(=O)NC(C)C1CCCCC1.
What is the InChIKey of but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide?
The InChIKey is FPKBZVYPFAVYPX-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H24N2O.C4H8/c1-9(11-7-5-4-6-8-11)14-12(15)10(2)13-3;1-3-4-2/h9-11,13H,4-8H2,1-3H3,(H,14,15);3H,1,4H2,2H3/t9?,10-;/m0./s1.
What are the key properties of but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide?
but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide has a molecular weight of 268.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;(2S)-N-(1-cyclohexylethyl)-2-(methylamino)propanamide is sourced from PubChem (CID 143657062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).