ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene

C17H36N2 — CID 145378347

IUPACethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene
SMILESC=CC.C=NC(C)CN(CC(C)C)C1CCC1.CC
InChIInChI=1S/C12H24N2.C3H6.C2H6/c1-10(2)8-14(9-11(3)13-4)12-6-5-7-12;1-3-2;1-2/h10-12H,4-9H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyPNBMEFQVOORHDB-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.80
Rot. Bonds6

About ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene

ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene (PubChem CID 145378347) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene.

Molecular Properties

Compound Nameethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene
PubChem CID145378347
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Nameethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene
SMILESC=CC.C=NC(C)CN(CC(C)C)C1CCC1.CC
InChIInChI=1S/C12H24N2.C3H6.C2H6/c1-10(2)8-14(9-11(3)13-4)12-6-5-7-12;1-3-2;1-2/h10-12H,4-9H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyPNBMEFQVOORHDB-UHFFFAOYSA-N
XLogP4.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene?
The IUPAC name of ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene (CID 145378347) is ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene.
What is the SMILES notation for ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene?
The canonical SMILES for ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene is C=CC.C=NC(C)CN(CC(C)C)C1CCC1.CC.
What is the InChIKey of ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene?
The InChIKey is PNBMEFQVOORHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C3H6.C2H6/c1-10(2)8-14(9-11(3)13-4)12-6-5-7-12;1-3-2;1-2/h10-12H,4-9H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene?
ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene has a molecular weight of 268.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(methylideneamino)propyl]-N-(2-methylpropyl)cyclobutanamine;prop-1-ene is sourced from PubChem (CID 145378347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).